SCHEMBL8937385

SCHEMBL8937385

COc1ccc(/C(=C/C(=O)O)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.56
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
NPSR1 Q6W5P4 1/20 0.49
KDR P35968 2/20 0.48
SRD5A2 P31213 1/20 0.48
CES2 O00748 2/20 0.48
RXFP1 Q9HBX9 1/20 0.47
AKR1C3 P42330 3/20 0.46
AKR1C2 P52895 3/20 0.46
VNN1 O95497 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
CYP1A1 P04798 1/20 0.45
CYP1B1 Q16678 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
SCHEMBL8937390 1.00 MAOB (0.56) MAOBKDM4EPOLBMAPTNPSR1
SCHEMBL8937392 1.00 MAOB (0.56) MAOBKDM4EPOLBMAPTNPSR1
SCHEMBL8937311 0.88 MAOB (0.48) MAOBKDM4EPOLBMAPTKDR
SCHEMBL8937314 0.88 MAOB (0.48) MAOBKDM4EPOLBMAPTKDR
SCHEMBL8937309 0.88 MAOB (0.48) MAOBKDM4EPOLBMAPTKDR
SCHEMBL8937269 0.86 NQO2 (0.56) MAOBKDM4EPOLBMAPTNPSR1
SCHEMBL8937264 0.86 NQO2 (0.56) MAOBKDM4EPOLBMAPTNPSR1
SCHEMBL8937272 0.86 NQO2 (0.56) MAOBKDM4EPOLBMAPTNPSR1
SCHEMBL13236754 0.84 MAOB (0.51) MAOBKDM4EPOLBMAPTNPSR1
SCHEMBL14034216 0.84 CES2 (0.50) MAOBNPSR1SRD5A2CES2TAS1R3

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
US-5559109-A Method of treating a PAF-mediated pathology or for treating or preventing psoriasis, nephritis, asthma or shock by administering a PAF antagonist SANKKO COMPANY, LIMITED (JP) 1996-09-24 US disclosed
US-5556852-A PLATELET ACTIVATING FACTOR ANTAGONISTS SANKYO COMPANY, LIMITED (JP) 1996-09-17 US disclosed
US-5369106-A N-acryloylpiperazine derivatives, their preparation and their use of PAF antagonists SANKYO COMPANY, LIMITED (JP) 1994-11-29 US disclosed
US-5192766-A Platelet activating factor antagonist SANKYO COMPANY, LIMITED (JP) 1993-03-09 US disclosed