SCHEMBL8937228

SCHEMBL8937228

CCc1ccc(/C(=C\C(=O)O)c2cc(Cl)cc(Cl)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 2/20 0.54
CNR2 P34972 3/20 0.49
CNR1 P21554 1/20 0.49
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 2/20 0.41
AGTR1 P30556 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
NLRP1 Q9C000 1/20 0.41
EGFR P00533 1/20 0.40
PLK1 P53350 1/20 0.40
TPMT P51580 1/20 0.39
PDPK1 O15530 1/20 0.38
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.38

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
SCHEMBL8937226 1.00 GAA (0.54) GAAALDH1A1MAPTCNR2CNR1
SCHEMBL8937230 1.00 GAA (0.54) GAAALDH1A1MAPTCNR2CNR1
SCHEMBL8937432 0.87 S1PR3 (0.47) GAAALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL8937429 0.87 S1PR3 (0.47) GAAALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL8937426 0.87 S1PR3 (0.47) GAAALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL8937317 0.84 PDPK1 (0.47) GAAALDH1A1MAPTPDPK1S1PR3
SCHEMBL8937323 0.84 PDPK1 (0.47) GAAALDH1A1MAPTPDPK1S1PR3
SCHEMBL8937320 0.84 PDPK1 (0.47) GAAALDH1A1MAPTPDPK1S1PR3
SCHEMBL8937336 0.81 MAOB (0.48) ALDH1A1MAPTLMNANPC1MAPK1
SCHEMBL8937340 0.81 MAOB (0.48) ALDH1A1MAPTLMNANPC1MAPK1

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