SCHEMBL3893496

SCHEMBL3893496

O=C(O)CCc1cc(-c2ccc3[nH]ccc3c2)c(OCc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 6/20 0.41
FFAR1 O14842 6/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
PTGES O14684 1/20 0.39
ENPP2 Q13822 1/20 0.38
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
CHRNA7 P36544 1/20 0.37
KCNH2 Q12809 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
FFAR2 O15552 1/20 0.36
MPO P05164 1/20 0.35
PSEN1 P49768 1/20 0.35

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
SCHEMBL3893502 1.00 FFAR4 (0.41) FFAR4FFAR1THRATHRBPTGES
SCHEMBL27627155 0.95 PTGES (0.38) FFAR4FFAR1THRATHRBPTGES
SCHEMBL3895738 0.91 PTGES (0.38) FFAR4PTGESENPP2CHRNA7KCNH2
SCHEMBL3895730 0.87 PTGS2 (0.38) FFAR4FFAR1PTGESENPP2PPARG
SCHEMBL3882277 0.86 FFAR4 (0.49) FFAR4FFAR1THRATHRBPTGES
SCHEMBL3882327 0.86 FFAR4 (0.43) FFAR4FFAR1THRATHRBENPP2
SCHEMBL3883485 0.84 FFAR4 (0.48) FFAR4FFAR1ENPP2PPARGPPARD
SCHEMBL27607971 0.81 FFAR4 (0.39) FFAR4FFAR1THRATHRBENPP2
SCHEMBL3888001 0.80 THRA (0.46) FFAR4THRATHRBENPP2
SCHEMBL3887997 0.80 THRA (0.46) FFAR4THRATHRBENPP2

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