SCHEMBL1122914

SCHEMBL1122914

O=C(O)CN(Cc1cccc(OCc2ccccc2)c1)C(=O)c1cccc(OCCN(Cc2ccccc2)Cc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
BCHE P06276 6/20 0.50
PTGES O14684 2/20 0.50
NR4A2 P43354 1/20 0.50
MAOB P27338 1/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
ALOX5 P09917 1/20 0.47
LTC4S Q16873 1/20 0.47
SMPD1 P17405 1/20 0.46
SLC2A1 P11166 3/20 0.46
SLC2A4 P14672 1/20 0.46
SRD5A2 P31213 1/20 0.46
F10 P00742 2/20 0.45

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
SCHEMBL1123277 0.92 PPARG (0.49) KMT2APTGESPPARGPPARAALOX5
SCHEMBL1123557 0.91 PTGES (0.52) KMT2ABCHEPTGESNR4A2MAOB
SCHEMBL1123174 0.89 NR4A2 (0.59) KMT2ABCHEPTGESNR4A2MAOB
SCHEMBL1123189 0.89 LPAR1 (0.51) KMT2AMAOBPPARGPPARASLC2A1
SCHEMBL1122636 0.89 BCHE (0.50) KMT2ABCHEPTGESNR4A2MAOB
SCHEMBL1123406 0.87 NR4A2 (0.56) KMT2APTGESNR4A2MAOBALOX5
SCHEMBL1123118 0.86 KMT2A (0.58) KMT2APTGESNR4A2MAOBSMPD1
SCHEMBL1123250 0.86 L3MBTL1 (0.53) BCHEPTGESNR4A2MAOBPPARG
SCHEMBL1123394 0.86 KMT2A (0.52) KMT2APTGESNR4A2MAOBPPARG
SCHEMBL1122783 0.85 NR4A1 (0.49) KMT2ANR4A2MAOBPPARGSLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 EP disclosed