SCHEMBL3882277

SCHEMBL3882277

O=C(O)CCc1cc(-c2ccc3ccccc3c2)c(OCc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 6/20 0.49
FFAR1 O14842 6/20 0.49
PTGES O14684 2/20 0.45
THRA P10827 2/20 0.44
THRB P10828 2/20 0.44
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 0.42
PTPN1 P18031 2/20 0.40
PTPN2 P17706 1/20 0.40
PTPN6 P29350 1/20 0.40
CXCR2 P25025 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
SCHEMBL3882826 0.91 PTGES (0.43) FFAR4FFAR1PTGESRXRARXRB
SCHEMBL3882264 0.88 THRA (0.51) FFAR4FFAR1THRATHRB
SCHEMBL3893502 0.86 FFAR4 (0.41) FFAR4FFAR1PTGESTHRATHRB
SCHEMBL3893496 0.86 FFAR4 (0.41) FFAR4FFAR1PTGESTHRATHRB
SCHEMBL3885770 0.86 PTGES (0.43) FFAR4FFAR1PTGESRXRARXRB
SCHEMBL3881786 0.85 FFAR1 (0.52) FFAR4FFAR1THRATHRBRXRA
SCHEMBL3885360 0.84 AKR1C3 (0.43) FFAR4FFAR1PPARGPPARDPPARA
SCHEMBL3682378 0.81 CCNC (0.47) PTGESTHRATHRBPTPN1
SCHEMBL27627155 0.81 PTGES (0.38) FFAR4FFAR1PTGESTHRATHRB
SCHEMBL3885728 0.81 FFAR1 (0.48) FFAR4FFAR1PTGES

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