SCHEMBL1029462

SCHEMBL1029462

COc1ccc(CNC(=O)Oc2c(-c3ccc(C)cc3)c(C)cn2Cc2ccc(C)cc2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
PDE10A Q9Y233 1/20 0.43
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
PKM P14618 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
EPHX2 P34913 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL1031863 0.84 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2LMNAMAPTPDE10A
SCHEMBL1030311 0.78 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL1031870 0.78 KMT2A (0.40) SMN1; SMN2
SCHEMBL1032399 0.77 WDR5 (0.46) EPHX2
SCHEMBL1031997 0.77 TAAR1 (0.45) SMN1; SMN2MAPTGAAEPHX2POLB
SCHEMBL1028135 0.77 ALDH1A1 (0.53) ALDH1A1LMNAMAPTGAATHRB
SCHEMBL1032699 0.76 EPHX2 (0.42) EPHX2
SCHEMBL1030436 0.76 S1PR1 (0.41) ALDH1A1LMNAMAPT
SCHEMBL1028564 0.75 ALDH1A1 (0.38) ALDH1A1LMNAMAPTTHRBEPHX2
SCHEMBL1033304 0.75 MGLL (0.59) ALDH1A1SMN1; SMN2MAPTGAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035375-B1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2011-01-19 EP claimed
EP-2035375-A1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS Grünenthal GmbH (DE) 2009-03-18 EP claimed
WO-2007141039-A1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS Grünenthal GmbH (DE) 2007-12-13 WO claimed
EP-2035375-B1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2011-01-19 EP disclosed
EP-2035375-A1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS Grünenthal GmbH (DE) 2009-03-18 EP disclosed
WO-2007141039-A1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS Grünenthal GmbH (DE) 2007-12-13 WO disclosed