SCHEMBL16319232

SCHEMBL16319232

COc1ccc(F)c(-c2ccc(OCc3cc(C(CC(=O)O)C4CC4)ncn3)cc2CC(C)(C)C)c1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 20/20 0.66
FFAR4 Q5NUL3 1/20 0.51

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
SCHEMBL16318755 0.92 FFAR1 (0.56) FFAR1FFAR4
SCHEMBL16319055 0.90 FFAR1 (0.61) FFAR1FFAR4
SCHEMBL16318617 0.88 FFAR1 (0.73) FFAR1
SCHEMBL16318516 0.87 FFAR1 (0.66) FFAR1FFAR4
SCHEMBL16319040 0.82 FFAR1 (0.73) FFAR1FFAR4
SCHEMBL16318841 0.82 FFAR1 (0.52) FFAR1FFAR4
SCHEMBL16318624 0.82 FFAR1 (0.90) FFAR1
SCHEMBL16319112 0.80 FFAR1 (0.62) FFAR1
SCHEMBL2498860 0.80 FFAR1 (1.00) FFAR1
SCHEMBL2499816 0.80 FFAR1 (1.00) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382188-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-05 US disclosed
US-9382188-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-05 US disclosed
US-9382188-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-05 US disclosed
EP-2816023-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 EP disclosed