SCHEMBL1031583

SCHEMBL1031583

COc1ccc(-c2c(C)cn(C)c2OC(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
MDM2 Q00987 1/20 0.39
KMT2A Q03164 1/20 0.39
GRIA2 P42262 1/20 0.38
GRIA4 P48058 1/20 0.38
POLB P06746 2/20 0.38
GAA P10253 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
BACE1 P56817 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL1081580 0.85 BRD4 (0.39) LMNAKMT2AGRIA2GRIA4GAA
SCHEMBL4109962 0.84 MAPT (0.35) LMNAMEN1MDM2KMT2AGRIA2
SCHEMBL1031582 0.79 LMNA (0.51) LMNACASP3SENP8SENP7SENP6
SCHEMBL4102629 0.77 LMNA (0.44) LMNAMEN1KMT2APOLBSMN1; SMN2
SCHEMBL4109233 0.76 SMN1; SMN2 (0.45) LMNAMEN1KMT2APOLBGAA
SCHEMBL1032701 0.75 ALDH1A1 (0.44) LMNAPKMGAAALDH1A1HPGD
SCHEMBL1031145 0.72 ALDH1A1 (0.48) MEN1KMT2AALDH1A1
SCHEMBL6223461 0.70 ESR2 (0.56) LMNACASP3SENP8SENP7SENP6
SCHEMBL1030275 0.70 L3MBTL1 (0.40) LMNAMEN1PKMKMT2APOLB
SCHEMBL5558346 0.70

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