SCHEMBL8937432

SCHEMBL8937432

CCc1ccc(C(=CC(=O)O)c2cccc(Cl)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.47
ALDH1A1 P00352 3/20 0.44
GAA P10253 3/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 2/20 0.42
GFER P55789 1/20 0.42
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDPK1 O15530 1/20 0.42
PARP1 P09874 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
NLRP1 Q9C000 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL8937426 1.00 S1PR3 (0.47) S1PR3ALDH1A1GAAMAPTPOLB
SCHEMBL8937429 1.00 S1PR3 (0.47) S1PR3ALDH1A1GAAMAPTPOLB
SCHEMBL8937230 0.87 GAA (0.54) S1PR3ALDH1A1GAAMAPTPOLB
SCHEMBL8937226 0.87 GAA (0.54) S1PR3ALDH1A1GAAMAPTPOLB
SCHEMBL8937228 0.87 GAA (0.54) S1PR3ALDH1A1GAAMAPTPOLB
SCHEMBL8937297 0.85 PARP1 (0.55) ALDH1A1GAAMAPTPOLBERCC5
SCHEMBL8937317 0.83 PDPK1 (0.47) S1PR3ALDH1A1GAAMAPTPDPK1
SCHEMBL8937320 0.83 PDPK1 (0.47) S1PR3ALDH1A1GAAMAPTPDPK1
SCHEMBL8937323 0.83 PDPK1 (0.47) S1PR3ALDH1A1GAAMAPTPDPK1
SCHEMBL8937571 0.81 MAPT (0.60) ALDH1A1MAPTPOLBLMNAMAPK1

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