SCHEMBL16319295

SCHEMBL16319295

COc1ccc(F)c(-c2ccc(O)cc2C(F)C2(C#N)CCCC2)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TNIK Q9UKE5 2/20 0.35
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
KLK7 P49862 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL16318834 0.85 FFAR1 (0.44) FFAR1
SCHEMBL16319225 0.79 FFAR1 (0.39) FFAR1TNIKGRIN1GRIN2BESR1
SCHEMBL16319060 0.78 FFAR1 (0.47) FFAR1
SCHEMBL16319250 0.75 FFAR1 (0.36) FFAR1TNIKESR1ESR2
SCHEMBL16318804 0.74 FFAR1 (0.35) FFAR1TNIKESR1ESR2GAA
SCHEMBL15213181 0.74 FFAR1 (0.65) FFAR1
SCHEMBL16319294 0.73 FFAR1 (0.36) FFAR1TNIKESR1ESR2
SCHEMBL16318863 0.72 FFAR1 (0.38) FFAR1ALDH1A1GAA
SCHEMBL16318775 0.71 FFAR1 (0.43) FFAR1ALDH1A1TNIKESR1ESR2
SCHEMBL16319229 0.71 FFAR1 (0.40) FFAR1ALDH1A1GRIN1GRIN2BGAA

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