SCHEMBL1708135

SCHEMBL1708135

CCc1nc2cccc(C)c2n1-c1cccc(CNc2ccc3c(c2)OC[C@H]3CC(=O)OC)c1C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.39
PPARG P37231 2/20 0.34
PPARD Q03181 2/20 0.34
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL1708362 0.92 FFAR1 (0.45) FFAR1PPARGPPARD
SCHEMBL1708157 0.90 FFAR1 (0.38) FFAR1PPARDLMNAPOLBGAA
SCHEMBL10291823 0.89 FFAR1 (0.36) FFAR1GAA
SCHEMBL1708028 0.86 FFAR1 (0.37) FFAR1PPARD
SCHEMBL1708439 0.86 FFAR1 (0.40) FFAR1PPARDLMNAPOLBGAA
SCHEMBL1707998 0.86 FFAR1 (0.37) FFAR1PPARGPPARD
SCHEMBL1708363 0.86 INSR (0.34) FFAR1LMNAGAA
SCHEMBL1708255 0.85 FFAR1 (0.40) FFAR1PPARGPPARDLMNAPOLB
SCHEMBL1708632 0.84 FFAR1 (0.36) FFAR1PPARDLMNAGAA
SCHEMBL10291337 0.84 TSHR (0.39) FFAR1PPARGPPARDLMNAPOLB

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