SCHEMBL1123260

SCHEMBL1123260

O=C(O)CCN(Cc1cccc(OCc2ccccc2)c1)C(=O)c1cccc(OCc2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.60
KMT2A Q03164 1/20 0.54
NR4A2 P43354 1/20 0.54
PTGES O14684 2/20 0.54
SMPD1 P17405 2/20 0.53
MAOB P27338 1/20 0.52
FFAR4 Q5NUL3 2/20 0.52
PTPN1 P18031 1/20 0.51
SLC2A1 P11166 2/20 0.50
PPARG P37231 1/20 0.50
ALOX5 P09917 1/20 0.50
LTC4S Q16873 1/20 0.50
SLC2A4 P14672 1/20 0.49

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
SCHEMBL1123559 0.97 FFAR1 (0.62) FFAR1KMT2ANR4A2PTGESSMPD1
SCHEMBL1122984 0.95 NR4A2 (0.56) FFAR1KMT2ANR4A2PTGESSMPD1
SCHEMBL1122854 0.94 FFAR1 (0.60) FFAR1NR4A2PTGESSMPD1FFAR4
SCHEMBL1123113 0.93 FFAR1 (0.62) FFAR1NR4A2PTGESFFAR4SLC2A1
SCHEMBL1123468 0.93 KMT2A (0.54) FFAR1KMT2ANR4A2PTGESSMPD1
SCHEMBL1122963 0.92 FFAR1 (0.65) FFAR1KMT2APTGESFFAR4SLC2A1
SCHEMBL1122938 0.90 BCHE (0.55) FFAR1KMT2ANR4A2PTGESSMPD1
SCHEMBL1123394 0.90 KMT2A (0.52) FFAR1KMT2ANR4A2PTGESSMPD1
SCHEMBL1123406 0.89 NR4A2 (0.56) FFAR1KMT2ANR4A2PTGESSMPD1
SCHEMBL1123557 0.89 PTGES (0.52) FFAR1KMT2ANR4A2PTGESSMPD1

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