SCHEMBL3885366

SCHEMBL3885366

CC(Cc1ccc(OCc2ccc(C(F)(F)F)cc2)c(-c2ccc3[nH]ccc3c2)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.46
PPARA Q07869 3/20 0.46
S1PR1 P21453 3/20 0.44
S1PR3 Q99500 3/20 0.44
S1PR5 Q9H228 3/20 0.44
PTGER1 P34995 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
PTGS2 P35354 1/20 0.41
ENPP2 Q13822 1/20 0.41
PPARG P37231 1/20 0.41
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 2/20 0.41
VCP P55072 1/20 0.40
PTPN1 P18031 2/20 0.40
PTPN2 P17706 1/20 0.40
PTPN6 P29350 1/20 0.40
FFAR1 O14842 1/20 0.40

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
SCHEMBL3893638 0.92 PTGER1 (0.43) PPARDPPARAPTGER1PTGER4PTGER3
SCHEMBL3883264 0.90 PTGER1 (0.46) PPARDPPARAPTGER1PTGER4PTGER3
SCHEMBL3890174 0.90 PTGER1 (0.53) PTGER1PTGER4PTGER3PTGER2PTGS2
SCHEMBL3886278 0.89 PTGER1 (0.45) S1PR1S1PR3S1PR5PTGER1PTGER4
SCHEMBL3884238 0.89 PTGER1 (0.52) PTGER1PTGER4PTGER3PTGER2PTGS2
SCHEMBL3891560 0.88 PTGER1 (0.44) PPARAPTGER1PTGER4PTGER3PTGER2
SCHEMBL3881440 0.87 PTGS2 (0.40) PPARDPPARAS1PR1S1PR3S1PR5
SCHEMBL3886347 0.87 AKT1 (0.44) PPARDPPARAS1PR1S1PR3S1PR5
SCHEMBL3884031 0.86 PTGS2 (0.42) PTGER1PTGER4PTGER3PTGER2PTGS2
SCHEMBL3884663 0.86 FFAR1 (0.45) PPARDPPARAS1PR1S1PR3S1PR5

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