SCHEMBL4103013

SCHEMBL4103013

CCn1cc(C)c(-c2ccc(Cl)cc2)c1OC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
MAPT P10636 4/20 0.36
GRIA2 P42262 1/20 0.35
GRIA4 P48058 1/20 0.35
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 5/20 0.34
MEN1 O00255 3/20 0.34
HPGD P15428 3/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
POLB P06746 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL4108837 0.86 MAPT (0.36) GABRA2GABRB2TP53MDM2PPARG
SCHEMBL4109962 0.82 MAPT (0.35) GABRA2GABRB2TP53MDM2PPARG
SCHEMBL4112216 0.80 PPARG (0.39) GABRA2GABRB2TP53PPARGPPARA
SCHEMBL4103785 0.80 MAPT (0.45) TP53PPARGPPARAMAPTKDM4E
SCHEMBL2637730 0.79 GRIA2 (0.45) GABRA2GABRB2TP53MDM2MAPT
SCHEMBL1030436 0.78 S1PR1 (0.41) TP53MAPTALDH1A1HPGDLMNA
SCHEMBL4118046 0.77 HPGD (0.47) TP53PPARGPPARAKDM4EALDH1A1
SCHEMBL4096188 0.76 ICMT (0.38) TP53GRIA2GRIA4KDM4EALDH1A1
SCHEMBL4106837 0.76 HPGD (0.47) TP53MAPTKDM4EALDH1A1MEN1
SCHEMBL1028249 0.76 PDE10A (0.38) TP53MAPTMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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