SCHEMBL1123394

SCHEMBL1123394

O=C(O)CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1cccc(OCCN(Cc2ccccc2)Cc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
FFAR1 O14842 3/20 0.51
NR4A2 P43354 1/20 0.48
SMPD1 P17405 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAOB P27338 2/20 0.46
PTGES O14684 1/20 0.46
F10 P00742 1/20 0.46
PTPN1 P18031 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
PPARG P37231 2/20 0.45
TSHR P16473 1/20 0.45
PPARA Q07869 1/20 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
SCHEMBL1123557 0.95 PTGES (0.52) KMT2AFFAR1NR4A2SMPD1MAOB
SCHEMBL1122949 0.93 FFAR1 (0.52) FFAR1MAOBPTGESPPARGPPARA
SCHEMBL1123559 0.91 FFAR1 (0.62) KMT2AFFAR1NR4A2SMPD1MAOB
SCHEMBL1123395 0.90 F10 (0.51) KMT2ANR4A2SMPD1PTGESF10
SCHEMBL1123260 0.90 FFAR1 (0.60) KMT2AFFAR1NR4A2SMPD1MAOB
SCHEMBL1123247 0.89 SLC2A1 (0.47) KMT2ASMPD1MAOBF10PPARG
SCHEMBL1122385 0.88 PPARG (0.47) KMT2AF10PPARGPPARA
SCHEMBL1122912 0.87 LPAR1 (0.49) KMT2AFFAR1L3MBTL1PTGESF10
SCHEMBL1123593 0.87 NR4A1 (0.48) KMT2ANR4A2F10PPARG
SCHEMBL1122963 0.87 FFAR1 (0.65) KMT2AFFAR1PTGESFFAR4TSHR

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