SCHEMBL3886547

SCHEMBL3886547

CC(Cc1ccc(OCc2ccc(Cl)cc2Cl)c(-c2ccc3[nH]ccc3c2)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.41
S1PR5 Q9H228 2/20 0.41
PTGS2 P35354 1/20 0.40
PTGER1 P34995 3/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
MRGPRX4 Q96LA9 8/20 0.39
ENPP2 Q13822 1/20 0.38
ADRB2 P07550 1/20 0.38
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
PPARA Q07869 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
LTK P29376 1/20 0.37

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
SCHEMBL3885225 0.90 PTGER1 (0.46) S1PR1S1PR5PTGS2PTGER1PTGER4
SCHEMBL3891560 0.90 PTGER1 (0.44) PTGS2PTGER1PTGER4PTGER3PTGER2
SCHEMBL3891017 0.87 PTGS2 (0.43) PTGS2PTGER1PTGER4PTGER3PTGER2
SCHEMBL3882397 0.87 PTGER1 (0.44) PTGS2PTGER1PTGER4PTGER3PTGER2
SCHEMBL3891583 0.87 PTGER1 (0.46) PTGS2PTGER1PTGER4PTGER3PTGER2
SCHEMBL3882813 0.86 MAOB (0.42) S1PR1S1PR5PTGS2PTGER1PTGER4
SCHEMBL3882394 0.86 PTGER1 (0.42) PTGS2PTGER1PTGER4PTGER3PTGER2
SCHEMBL3885383 0.85 FFAR1 (0.48) S1PR1S1PR5
SCHEMBL3886809 0.85 PTGS2 (0.42) PTGS2ENPP2PPARA
SCHEMBL3890174 0.84 PTGER1 (0.53) PTGS2PTGER1PTGER4PTGER3PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP claimed