SCHEMBL1708439

SCHEMBL1708439

CCc1nc2cc(OC)ccc2n1-c1cccc(CNc2ccc3c(c2)OC[C@H]3CC(=O)OC)c1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.40
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
GFER P55789 1/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 2/20 0.36
PPARD Q03181 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 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
SCHEMBL1708691 0.94 FFAR1 (0.46) FFAR1PPARD
SCHEMBL1708157 0.91 FFAR1 (0.38) FFAR1GAAPOLBMAPTNPC1
SCHEMBL1708638 0.90 FFAR1 (0.37) FFAR1GAAPOLBGFERNPC1
SCHEMBL1708136 0.90 FFAR1 (0.38) FFAR1GAAPOLBGFERNPC1
SCHEMBL10291384 0.89 GFER (0.38) GAAGFERMAPTNPC1SMN1; SMN2
SCHEMBL10291534 0.88 GFER (0.37) FFAR1GAAGFERMAPTNPC1
SCHEMBL1708693 0.87 SMN1; SMN2 (0.36) GAAPOLBGFERMAPTNPC1
SCHEMBL1708028 0.87 FFAR1 (0.37) FFAR1MAPTPPARD
SCHEMBL1707998 0.87 FFAR1 (0.37) FFAR1MAPTPPARDALDH1A1
SCHEMBL1708140 0.87 FFAR1 (0.38) FFAR1GAAPOLBGFERMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed