SCHEMBL4470346

SCHEMBL4470346

CC(=O)OC(C)(C)C.CC(C)(C)OC(=O)CC(=O)c1ccc(C2CCC3(CC2)OCCO3)nc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.37
PDE10A Q9Y233 7/20 0.35
TRPV3 Q8NET8 1/20 0.35
GABRA1 P14867 2/20 0.35
MAPK1 P28482 2/20 0.33
HPGDS O60760 3/20 0.32
GRIN2B Q13224 1/20 0.32
CNR2 P34972 1/20 0.32
IDO1 P14902 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
SCHEMBL4942235 0.97 GPR119 (0.38) GPR119PDE10ATRPV3GABRA1MAPK1
SCHEMBL4482079 0.78 MAPK1 (0.44) GPR119PDE10ATRPV3MAPK1
SCHEMBL629954 0.69 TRPV3 (0.42) PDE10ATRPV3MAPK1IDO1
SCHEMBL5562740 0.69 USP30 (0.39) GABRA1MAPK1IDO1
SCHEMBL17316549 0.68 CACNA1G (0.40) GPR119IDO1
SCHEMBL3540420 0.67 IDO1 (0.40) PDE10ATRPV3MAPK1IDO1
SCHEMBL29209494 0.67 GAA (0.51)
SCHEMBL16660961 0.67 TRPV3 (0.40) PDE10ATRPV3MAPK1
SCHEMBL9269519 0.67 ALDH1A1 (0.44) GPR119TRPV3MAPK1
SCHEMBL9521091 0.66 GABRA5 (0.36) GRIN2B

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
EP-2117526-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2009-11-18 EP disclosed
WO-2008067257-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-06-05 WO disclosed