SCHEMBL16319250

SCHEMBL16319250

COc1ccc(F)c(-c2ccc(O)cc2CC2(C#N)CCCC2)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
TNIK Q9UKE5 1/20 0.33

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
SCHEMBL16318804 0.99 FFAR1 (0.35) FFAR1ESR1ESR2TNIK
SCHEMBL16319294 0.98 FFAR1 (0.36) FFAR1ESR1ESR2PIK3CDPIK3CB
SCHEMBL16318844 0.85 FFAR1 (0.42) FFAR1
SCHEMBL16318652 0.82 SMN1; SMN2 (0.32) FFAR1
SCHEMBL16319169 0.80 BACE1 (0.33) FFAR1
SCHEMBL16318556 0.77 ESR1 (0.39) FFAR1ESR1ESR2PIK3CDPIK3CB
SCHEMBL16319322 0.76 FFAR1 (0.36) FFAR1
SCHEMBL16319295 0.75 FFAR1 (0.35) FFAR1ESR1ESR2TNIK
SCHEMBL16319224 0.75 FFAR1 (0.40) FFAR1ESR1ESR2PIK3CDPIK3CB
SCHEMBL16318997 0.74 FFAR1 (0.65) 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 2 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
EP-2816023-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 EP disclosed