SCHEMBL1123557

SCHEMBL1123557

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.52
KMT2A Q03164 1/20 0.50
BCHE P06276 5/20 0.49
NR4A2 P43354 1/20 0.49
SMPD1 P17405 1/20 0.48
MAOB P27338 1/20 0.47
FFAR1 O14842 2/20 0.47
F10 P00742 1/20 0.47
PTPN1 P18031 1/20 0.47
ALOX5 P09917 1/20 0.46
LTC4S Q16873 1/20 0.46
PPARG P37231 1/20 0.46
SLC2A1 P11166 2/20 0.46
SLC2A4 P14672 1/20 0.46

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
SCHEMBL1123394 0.95 KMT2A (0.52) PTGESKMT2ANR4A2SMPD1MAOB
SCHEMBL1122949 0.94 FFAR1 (0.52) PTGESBCHEMAOBFFAR1ALOX5
SCHEMBL1122912 0.92 LPAR1 (0.49) PTGESKMT2AFFAR1F10ALOX5
SCHEMBL1122914 0.91 KMT2A (0.51) PTGESKMT2ABCHENR4A2SMPD1
SCHEMBL1122984 0.91 NR4A2 (0.56) PTGESKMT2ANR4A2SMPD1MAOB
SCHEMBL1122385 0.89 PPARG (0.47) KMT2ABCHEF10PPARGSLC2A1
SCHEMBL1123395 0.89 F10 (0.51) PTGESKMT2ANR4A2SMPD1F10
SCHEMBL1123260 0.89 FFAR1 (0.60) PTGESKMT2ANR4A2SMPD1MAOB
SCHEMBL1123247 0.88 SLC2A1 (0.47) KMT2ASMPD1MAOBF10PPARG
SCHEMBL1123559 0.88 FFAR1 (0.62) PTGESKMT2ANR4A2SMPD1MAOB

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-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 EP disclosed
CN-1835914-A New benzamides as PPAR[upsilon] modulators S A L V A T LAB SA (ES) 2006-09-20 CN disclosed
EP-1644321-A2 NEW BENZAMIDES AS PPATY MODULATORS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2006-04-12 EP disclosed
WO-2004110983-A2 NEW BENZAMIDES AS PPARϒ MODULATORS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2004-12-23 WO disclosed