SCHEMBL20032775

SCHEMBL20032775

COc1ccc(F)cc1-c1ccc(CCC2CC2C(C)=O)cc1

nearest known ligand 0.84

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 16/20 0.84
MMEL1 Q495T6 1/20 0.45
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41

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
SCHEMBL19321752 0.91 FFAR4 (1.00) FFAR4CA1CA2CA9CA12
SCHEMBL20032776 0.89 FFAR4 (0.84) FFAR4
SCHEMBL20032774 0.85 FFAR4 (0.65) FFAR4CA1CA2CA9CA12
SCHEMBL20032764 0.82 FFAR4 (0.84) FFAR4
SCHEMBL19321750 0.81 FFAR4 (1.00) FFAR4
SCHEMBL7227936 0.76 FFAR4 (0.67) FFAR4MMEL1
SCHEMBL19307487 0.76 FFAR4 (1.00) FFAR4CA1CA2CA9CA12
SCHEMBL19307485 0.76 FFAR4 (1.00) FFAR4CA1CA2CA9CA12
SCHEMBL20032750 0.74 FFAR4 (0.84) FFAR4
SCHEMBL19321747 0.73 FFAR4 (1.00) 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