SCHEMBL1707998

SCHEMBL1707998

CCc1nc2ccc(Cl)cc2n1-c1cccc(CNc2ccc3c(c2)OC[C@H]3CC(=O)OC)c1C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.37
PPARD Q03181 3/20 0.34
PPARG P37231 2/20 0.34
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
IDH1 O75874 1/20 0.32
THRB P10828 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
SCHEMBL10009045 0.93 FFAR1 (0.42) FFAR1PPARDPPARG
SCHEMBL1708247 0.93 FFAR1 (0.42) FFAR1PPARDPPARG
SCHEMBL1708262 0.91 FFAR1 (0.35) FFAR1PPARDPPARGMAPTALDH1A1
SCHEMBL1708028 0.91 FFAR1 (0.37) FFAR1PPARDMAPT
SCHEMBL1708157 0.91 FFAR1 (0.38) FFAR1PPARDMAPTALDH1A1
SCHEMBL10291804 0.89 MAPT (0.33) FFAR1MAPTALDH1A1PKMIDH1
SCHEMBL1708439 0.87 FFAR1 (0.40) FFAR1PPARDMAPTALDH1A1
SCHEMBL10291806 0.87 MAPT (0.34) MAPTALDH1A1PKMIDH1
SCHEMBL1708250 0.86 ALDH1A1 (0.34) FFAR1MAPTALDH1A1PKMIDH1
SCHEMBL1708135 0.86 FFAR1 (0.39) FFAR1PPARDPPARG

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