SCHEMBL3930495

SCHEMBL3930495

OC=CCCCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.50
MAOA P21397 1/20 0.48
MAPT P10636 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MAOB P27338 2/20 0.47
IGF1R P08069 1/20 0.46
ALOX15 P16050 1/20 0.46
SIGMAR1 Q99720 3/20 0.45
HDAC3 O15379 1/20 0.45
MAPK1 P28482 1/20 0.45
ADRA1A P35348 1/20 0.45
HDAC4 P56524 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC1 Q13547 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL9399999 0.94 HDAC3 (0.47) TRPV1MAOAMAPTRXFP1MAOB
SCHEMBL2243799 0.94 HDAC3 (0.47) TRPV1MAOAMAPTRXFP1MAOB
SCHEMBL3680122 0.85 GPR52 (0.55) CA1CA2
SCHEMBL16892622 0.82 TRPV1 (0.49) TRPV1MAOAMAPTRXFP1MAOB
SCHEMBL16892623 0.82 TRPV1 (0.49) TRPV1MAOAMAPTRXFP1MAOB
SCHEMBL4469893 0.81 MAPT (0.53) TRPV1MAOAMAPTRXFP1MAOB
SCHEMBL3584640 0.81 MAPT (0.53) TRPV1MAOAMAPTRXFP1MAOB
SCHEMBL3602230 0.81 MAPT (0.53) TRPV1MAOAMAPTRXFP1MAOB
SCHEMBL3586717 0.81 MAPT (0.53) TRPV1MAOAMAPTRXFP1MAOB
SCHEMBL3592734 0.81 MAPT (0.53) TRPV1MAOAMAPTRXFP1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed