SCHEMBL1838149

SCHEMBL1838149

C=CCc1c(O)ccc(C)c1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.41
POLB P06746 2/20 0.41
XDH P47989 1/20 0.36
GABRA1 P14867 3/20 0.35
GABRB2 P47870 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH2 P05091 1/20 0.35
AKR1B1 P15121 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP3A4 P08684 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8773429 0.88 POLB (0.33) SRD5A1POLBALDH1A1KDM4EGAA
SCHEMBL11809602 0.86 SRD5A1 (0.45) SRD5A1POLBXDHGABRA1GABRB2
SCHEMBL1083364 0.83 HPGD (0.35) POLBALDH1A1KDM4EGAAHPGD
SCHEMBL4208635 0.80 ESR1 (0.39) POLBALDH1A1KDM4EGAAHPGD
SCHEMBL30114992 0.77 SRD5A1 (0.45) SRD5A1POLBXDHGABRA1GABRB2
SCHEMBL5849188 0.77 SRD5A1 (0.45) SRD5A1POLBXDHGABRA1GABRB2
SCHEMBL6591933 0.75 SRD5A1 (0.47) SRD5A1POLBXDHGABRA1GABRB2
SCHEMBL7604874 0.75 IGF1R (0.36) POLBALDH1A1GAAHPGDCYP3A4
SCHEMBL8443514 0.75 HPGD (0.41) ALDH1A1KDM4EGAAMEN1MAPT
SCHEMBL9706720 0.74 POLB (0.36) SRD5A1POLBXDH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601195-B1 TANDEM PROCESS FOR PREPARING N-ALKYL MORPHINANS MALLINCKRODT LLC (US) 2014-04-23 EP claimed
EP-1820790-B1 3-alkylated-5,5',6,6',7,7',8,8'-octahydro-2,2'-binaphthols and 3,3'-dialkylated-5,5',6,6',7,7',8,8'-octahydro-2,2'-binaphthols and processes for making them INVISTA TECH SARL (CH) 2011-05-11 EP claimed
EP-1050531-B1 Pyridine and piperidine derivatives for treating neurodegenerative diseases SERVIER LAB (FR) 2004-11-17 EP claimed
EP-0574957-B1 Acrylonitrile- and polyvinylidene fluoride-derived membranes WEIZMANN KIRYAT MEMBRANE PROD (IL) 2002-01-02 EP claimed
EP-2262822-B1 ALKYL AND/OR ALKENYL ETHER OF AKLYL AND/OR ALKENYL(POLY)GLYCOSIDES AND USE THEREOF COGNIS IP MAN GMBH (DE) 2011-09-28 EP disclosed
EP-2262822-A1 ALKYL AND/OR ALKENYL ETHER OF AKLYL AND/OR ALKENYL(POLY)GLYCOSIDES AND USE THEREOF Cognis IP Management GmbH (DE) 2010-12-22 EP disclosed
WO-2009127339-A1 ALKYL AND/OR ALKENYL ETHER OF AKLYL AND/OR ALKENYL(POLY)GLYCOSIDES AND USE THEREOF COGNIS IP MANAGEMENT GMBH (DE) 2009-10-22 WO disclosed
EP-2110378-A1 New solubilisers and their use Cognis IP Management GmbH (DE) 2009-10-21 EP disclosed
EP-1512690-B1 Process for the preparation of 9,10-dihydro-9-oxa-10-organyl-phosphaphenanthren-10-oxide and derivatives thereof SCHILL & SEILACHER STRUKTOL AG (DE) 2008-07-02 EP disclosed
EP-1512690-A1 Process for the preparation of 9,10-dihydro-9-oxa-10-organyl-phosphaphenanthren-10-oxide and derivatives thereof Schill + Seilacher "Struktol" Aktiengesellschaft (DE) 2005-03-09 EP disclosed
EP-1062208-A1 HETARYL-SUBSTITUTED BENZYL PHENYL ETHERS, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE FOR COMBATING HARMFUL FUNGI AND ANIMAL PESTS BASF AKTIENGESELLSCHAFT (DE) 2000-12-27 EP disclosed
EP-1000058-A1 2- PYRAZOLYL AND TRIAZOLYL-3'-OXYMETHYLENE]-PHENYL-ISOXAZOLONES, TRIAZOLONES AND TETRAZOLONES AS PESTICIDES AND FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-05-17 EP disclosed
WO-1999005139-A1 2-[PYRAZOLYL AND TRIAZOLYL-3'-OXYMETHYLENE]-PHENYL-ISOXAZOLONES, TRIAZOLONES AND TETRAZOLONES AS PESTICIDES AND FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-02-04 WO disclosed
EP-0111714-B1 DYNAMIC MEMBRANES FOR REVERSE OSMOSIS AND ULTRAFILTRATION WITH GOOD FLOW QUALITIES ALIGENA AG (CH) 1989-03-01 EP disclosed
EP-0061610-B1 SEMIPERMEABLE MEMBRANES FROM ACRYLONITRILE-BASED POLYMERS, PROCESS FOR THEIR PREPARATION AND THEIR USE ALIGENA AG (CH) 1986-11-26 EP disclosed
EP-0025973-B1 POROUS SEMIPERMEABLE MEMBRANE BASED ON POLYACRYLONITRILE MODIFIED BY AMIDOXIME GROUPS, PROCESS FOR ITS PREPARATION AND THEIR USE ALIGENA AG (CH) 1985-01-23 EP disclosed
EP-0045837-B1 REACTIVE DERIVATIVES OF 3-OXA-BICYCLO(4.3.0)-NON-1-ENE-9-ONE, PROCESS FOR THEIR PREPARATION AND THEIR USE Dr. Willmar Schwabe GmbH & Co. (DE) 1984-09-19 EP disclosed
EP-0111714-A2 Dynamic membranes for reverse osmosis and ultrafiltration with good flow qualities ALIGENA AG (CH) 1984-06-27 EP disclosed
EP-0061610-A1 Semipermeable membranes from acrylonitrile-based polymers, process for their preparation and their use ALIGENA AG (CH) 1982-10-06 EP disclosed
EP-0025973-A2 Porous semipermeable membrane based on polyacrylonitrile modified by amidoxime groups, process for its preparation and their use ALIGENA AG (CH) 1981-04-01 EP disclosed