SCHEMBL1077644

SCHEMBL1077644

C=CCc1c(C(C)C(=O)O)ccc(O)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.40
PTGS1 P23219 5/20 0.39
SRD5A1 P18405 1/20 0.36
XDH P47989 2/20 0.34
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH2 P05091 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
AKR1B1 P15121 1/20 0.33
HPGD P15428 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PPARG P37231 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARD Q03181 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL5683696 0.76 PTGS2 (0.46) PTGS2PTGS1GABRA1GABRB2ALDH1A1
SCHEMBL490949 0.75 PTGS2 (0.49) PTGS2PTGS1ALOX5MMP1MMP2
SCHEMBL6526829 0.72 SELL (0.52) PTGS2SRD5A1XDHGABRA1GABRB2
SCHEMBL1413853 0.72 SRD5A1 (0.49) PTGS1SRD5A1XDHGABRA1GABRB2
SCHEMBL7167286 0.70 PTGS2 (0.46) PTGS2PTGS1GABRA1GABRB2KDM4E
SCHEMBL8418483 0.70 PTGS2 (0.52) PTGS2PTGS1XDHGABRA1GABRB2
SCHEMBL1053052 0.70 XDH (0.42) PTGS1SRD5A1XDHGABRA1GABRB2
SCHEMBL34470501 0.69 GABRA1 (0.64) PTGS2GABRA1GABRB2ALDH1A1KDM4E
SCHEMBL9472173 0.68 SRD5A1 (0.40) PTGS1SRD5A1XDHGABRA1GABRB2
SCHEMBL6231906 0.68 GABRA1 (0.36) PTGS2PTGS1XDHGABRA1GABRB2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE29892-E ALPHA-HYDRAZINO-ALPHA-LOWER ALKYL-3,4-DIHYDROXYPHENYLPROPIONIC ACID MERCK & CO. INC. (US) 1979-01-30 US claimed
US-20180200203-A1 CONTROLLED RELEASE DELIVERY SYSTEM FOR NASAL APPLICATION OF NEUROTRANSMITTERS M et P Pharma AG (CH) 2018-07-19 US disclosed
US-9801834-B2 Controlled release delivery system for nasal application of neurotransmitters M et P Pharma AG (CH) 2017-10-31 US disclosed
US-20160089347-A1 CONTROLLED RELEASE DELIVERY SYSTEM FOR NASAL APPLICATION OF NEUROTRANSMITTERS MATTERN PHARMA AG (LI) 2016-03-31 US disclosed
US-9186320-B2 Controlled release delivery system for nasal application of neurotransmitters MATTERN PHARMA AG (LI) 2015-11-17 US disclosed
US-20120009249-A1 CONTROLLED RELEASE DELIVERY SYSTEM FOR NASAL APPLICATION OF NEUROTRANSMITTERS ACERUS PHARMACEUTICALS SRL (BB) 2012-01-12 US disclosed
EP-2068825-B1 CONTROLLED RELEASE DELIVERY SYSTEM FOR NASAL APPLICATION OF NEUROTRANSMITTERS M & P PATENT AG (LI) 2011-01-26 EP disclosed
US-20090227550-A1 CONTROLLED RELEASE DELIVERY SYSTEM FOR NASAL APPLICATION OF NEUROTRANSMITTERS ACERUS PHARMACEUTICALS SRL (BB) 2009-09-10 US disclosed
EP-2068825-A1 CONTROLLED RELEASE DELIVERY SYSTEM FOR NASAL APPLICATION OF NEUROTRANSMITTERS M & P Patent Aktiengesellschaft (LI) 2009-06-17 EP disclosed
WO-2008040488-A1 CONTROLLED RELEASE DELIVERY SYSTEM FOR NASAL APPLICATION OF NEUROTRANSMITTERS M & P PATENT AKTIENGESELLSCHAFT (LI) 2008-04-10 WO disclosed
US-RE29892-E ALPHA-HYDRAZINO-ALPHA-LOWER ALKYL-3,4-DIHYDROXYPHENYLPROPIONIC ACID MERCK & CO. INC. (US) 1979-01-30 US disclosed
US-RE29892-E ALPHA-HYDRAZINO-ALPHA-LOWER ALKYL-3,4-DIHYDROXYPHENYLPROPIONIC ACID MERCK & CO. INC. (US) 1979-01-30 US disclosed