SCHEMBL20032746

SCHEMBL20032746

CCSc1cccc(-c2ccc(CCC3CC3C(C)=O)cc2)c1

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 17/20 0.83
PTGS2 P35354 1/20 0.48
BACE1 P56817 1/20 0.40
EPHX2 P34913 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
SCHEMBL19307435 0.91 FFAR4 (1.00) FFAR4PTGS2
SCHEMBL19307434 0.91 FFAR4 (1.00) FFAR4PTGS2
SCHEMBL20032812 0.78 FFAR4 (0.81) FFAR4
SCHEMBL20032770 0.77 FFAR4 (0.83) FFAR4
SCHEMBL20032807 0.77 FFAR4 (0.81) FFAR4
SCHEMBL20032811 0.77 FFAR4 (0.83) FFAR4
SCHEMBL20032809 0.73 FFAR4 (0.83) FFAR4
SCHEMBL20032771 0.70 FFAR4 (0.80) FFAR4
SCHEMBL3787437 0.68 PTGS2 (0.56) FFAR4PTGS2BACE1EPHX2
SCHEMBL19307392 0.68 FFAR4 (0.72) FFAR4

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
US-9938222-B2 Cyclopropanecarboxylic acid GPR120 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-04-10 US disclosed