SCHEMBL16319135

SCHEMBL16319135

COc1ccc(F)c(-c2ccc(O)cc2C2=CCOCC2)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.35
TNIK Q9UKE5 1/20 0.35
GCK P35557 1/20 0.35
FFAR1 O14842 6/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
PDE10A Q9Y233 1/20 0.34
ESR1 P03372 3/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
APP P05067 1/20 0.34
MAPT P10636 1/20 0.34
SNCA P37840 1/20 0.34
KMT2A Q03164 1/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL2496110 0.85 FFAR1 (0.39) FFAR1PDE10A
SCHEMBL16326395 0.84 FFAR1 (0.38) MAPK14FFAR1PDE10A
SCHEMBL2495802 0.84 CA1 (0.38) MAPK14GCKFFAR1MEN1ALDH1A1
SCHEMBL2495931 0.83 FFAR1 (0.38) MAPK14FFAR1CCNT1CDK9PDE10A
SCHEMBL12192000 0.81 FFAR1 (0.36) FFAR1PDE10A
SCHEMBL16318626 0.81 ELANE (0.35) MAPK14GCKFFAR1
SCHEMBL16318931 0.74 NPC1 (0.45) TNIKESR1MEN1ALDH1A1APP
SCHEMBL19175041 0.73 SUV39H2 (0.41) MAPK14GCKPIK3CDPIK3CACCNT1
SCHEMBL16319178 0.73 FFAR1 (0.34) TNIKFFAR1ESR1MEN1ALDH1A1
SCHEMBL16319110 0.71 FFAR1 (0.41) 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