SCHEMBL1047541

SCHEMBL1047541

O=Cc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
SRD5A2 P31213 3/20 0.60
CYP2A6 P11509 1/20 0.56
TDP1 Q9NUW8 2/20 0.54
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 3/20 0.52
RAB9A P51151 3/20 0.52
KMT2A Q03164 3/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
MAPK13 O15264 1/20 0.52
MAPK12 P53778 1/20 0.52
MAPK11 Q15759 1/20 0.52
MAPK14 Q16539 1/20 0.52
HPGD P15428 2/20 0.50
NPC1 O15118 2/20 0.50
UNG P13051 1/20 0.50
ELANE P08246 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL18678667 1.00 ALDH1A1 (0.64) ALDH1A1SRD5A2CYP2A6TDP1ATM
Benzene SCHEMBL28322201 1.00 ALDH1A1 (0.64) ALDH1A1SRD5A2CYP2A6TDP1ATM
SCHEMBL10396333 0.94 RAB9A (0.62) ALDH1A1SRD5A2CYP2A6TDP1ATM
Benzophenone SCHEMBL1074284 0.93 ALDH1A1 (0.67) ALDH1A1SRD5A2CYP2A6TDP1ATM
4-Hydroxybenzaldehyde SCHEMBL28345913 0.92 KMT2A (0.66) ALDH1A1SRD5A2CYP2A6TDP1ATM
SCHEMBL6852409 0.91 ALDH1A1 (0.68) ALDH1A1SRD5A2CYP2A6LMNAMAPT
SCHEMBL28349357 0.90 ALDH1A1 (0.53) ALDH1A1SRD5A2CYP2A6TDP1ATM
SCHEMBL10397418 0.89 SRD5A2 (0.64) ALDH1A1SRD5A2KMT2AELANE
SCHEMBL5107378 0.89 ALDH1A1 (0.52) ALDH1A1SRD5A2CYP2A6TDP1ATM
SCHEMBL28271046 0.86 CES2 (0.68) ALDH1A1CYP2A6TDP1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2992044-B1 POLYOLEFIN PIPE UPONOR INNOVATION AB (SE) 2022-01-12 EP claimed
EP-2613819-B2 LUBRICIOUS COATINGS FOR MEDICAL DEVICES BIOINTERACTIONS LTD (GB) 2020-11-25 EP claimed
EP-3134669-B1 POLYOLEFIN PIPE UPONOR INNOVATION AB (SE) 2019-09-04 EP claimed
US-10392496-B2 Polyolefin pipe UPONOR INNOVATION AB (SE) 2019-08-27 US claimed
US-20180258255-A1 Polyolefin Pipe UPONOR INNOVATION AB (SE) 2018-09-13 US claimed
EP-2613819-B1 LUBRICIOUS COATINGS FOR MEDICAL DEVICES BIOINTERACTIONS LTD (GB) 2018-01-10 EP claimed
US-20170114193-A1 Polyolefin Pipe UPONOR INNOVATION AB (SE) 2017-04-27 US claimed
EP-3134669-A1 POLYOLEFIN PIPE Uponor Innovation AB (SE) 2017-03-01 EP claimed
US-9487553-B2 Boranophosphate analogues of cyclic nucleotides BIOLOG LIFE SCIENCE INSTITUTE FORSCHUNGSLABOR UND BIOCHEMICA-VERTRIEB GMBH (DE) 2016-11-08 US claimed
EP-2691403-B1 NEW BORANOPHOSPHATE ANALOGUES OF CYCLIC NUCLEOTIDES BIOLOG LIFE SCIENCE INST FORSCHUNGSLABOR UND BIOCHEMICA VERTRIEB GMBH (DE) 2016-05-18 EP claimed
US-6262269-B1 4-Substituted-quinoline derivatives and 4-substituted-quinoline combinatorial libraries TREGA BIOSCIENCES, INC. 2001-07-17 US claimed
US-6072060-A Synthesis of taxol, taxol analogs and their intermediates with variable A-ring side chain structures and compositions thereof BRYN MAWR COLLEGE (US) 2000-06-06 US claimed
EP-0983507-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 2000-03-08 EP claimed
EP-0977989-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2000-02-09 EP claimed
EP-0564972-B1 Peptides with N-terminal modifications having bradykinin antagonistic activity HOECHST AG (DE) 1999-08-11 EP claimed
CN-1040330-C Peptide mit modifikationen am N-terminus HOECHST AG (DE) 1998-10-21 CN claimed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
EP-0175613-B1 IMMUNOGENIC HAV PEPTIDES MERCK & CO. INC. (US) 1992-10-21 EP claimed
US-4761470-A Immunogenic synthetic peptide capable of eliciting herpes simplex virus neutralizing antibody MERCK & CO., INC. (US) 1988-08-02 US claimed