SCHEMBL3950320

SCHEMBL3950320

N#Cc1cccc(COC(=O)CC(=O)CCc2ccccc2Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
CNR1 P21554 1/20 0.43
SLC16A3 O15427 1/20 0.42
SLC16A1 P53985 1/20 0.42
MCTS1 Q9ULC4 1/20 0.42
VNN1 O95497 1/20 0.42
MRGPRX4 Q96LA9 3/20 0.42
PDCD1 Q15116 11/20 0.42
CD274 Q9NZQ7 11/20 0.42
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 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
SCHEMBL3951977 0.88 FFAR1 (0.46) FFAR1FFAR4CNR1PDCD1CD274
SCHEMBL3943298 0.85 FFAR1 (0.43) FFAR1FFAR4MRGPRX4PDCD1CD274
SCHEMBL3951620 0.84 PLAAT3 (0.51) FFAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL3949409 0.80 MRGPRX4 (0.50) FFAR1FFAR4CNR1VNN1MRGPRX4
SCHEMBL3947205 0.78 FFAR1 (0.58) FFAR1FFAR4VNN1
SCHEMBL3941686 0.78 RAB9A (0.52) FFAR1FFAR4VNN1
SCHEMBL3948792 0.77 FAAH (0.48) FFAR1FFAR4
SCHEMBL29248542 0.76 FFAR1 (0.64) FFAR1FFAR4CNR1
SCHEMBL20954353 0.75 FFAR1 (0.49) FFAR1FFAR4VNN1MRGPRX4
SCHEMBL956095 0.73 CYP4F2 (0.54) CNR1PLAAT3PLAAT5PLAAT2PLAAT4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
WO-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed