SCHEMBL9432122

SCHEMBL9432122

O=Cc1cc(CCC(=O)O)ccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 9/20 0.42
▸ FFAR4 Q5NUL3 11/20 0.41
▸ PPARA Q07869 2/20 0.41
▸ FFAR2 O15552 1/20 0.40
▸ PPARD Q03181 1/20 0.40
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL8417759 0.88 PTPN1 (0.42) FFAR1FFAR4PPARAFFAR2PPARD
SCHEMBL24795607 0.83 ERN1 (0.38) CA1CA2PTGDR2
SCHEMBL7062043 0.81 CDK1 (0.41) PPARACA1CA2
SCHEMBL8417976 0.80 PPARA (0.42) FFAR1FFAR4PPARAFFAR2PPARD
SCHEMBL866808 0.79 EPAS1 (0.43) PTGDR2
SCHEMBL8417758 0.79 PPARA (0.44) FFAR1PPARAPPARD
SCHEMBL5581998 0.77 FFAR1 (0.56) FFAR1FFAR4CA1CA2
SCHEMBL8417761 0.76 FFAR1 (0.41) FFAR1FFAR4PTGDR2
SCHEMBL3915040 0.76 PPARG (0.44) FFAR1FFAR4PPARAFFAR2PPARD
SCHEMBL18232226 0.75 FFAR1 (0.50) FFAR1FFAR4CA1CA2

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
WO-1994025459-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1994-11-10 — — WO disclosed
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