SCHEMBL1122984

SCHEMBL1122984

O=C(O)CCN(Cc1cccc(OCc2ccccc2)c1)C(=O)c1cccc(OCc2cccc(OCc3ccccc3)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.56
FFAR1 O14842 3/20 0.56
PTGES O14684 2/20 0.56
SMPD1 P17405 2/20 0.55
MAOB P27338 1/20 0.54
KMT2A Q03164 1/20 0.54
PTPN1 P18031 1/20 0.53
ALOX5 P09917 1/20 0.52
LTC4S Q16873 1/20 0.52
SRD5A2 P31213 1/20 0.51
SLC2A1 P11166 1/20 0.51
SLC2A4 P14672 1/20 0.51
PPARG P37231 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
GPR132 Q9UNW8 1/20 0.48

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
SCHEMBL1123260 0.95 FFAR1 (0.60) NR4A2FFAR1PTGESSMPD1MAOB
SCHEMBL1123559 0.94 FFAR1 (0.62) NR4A2FFAR1PTGESSMPD1MAOB
SCHEMBL1123113 0.93 FFAR1 (0.62) NR4A2FFAR1PTGESALOX5LTC4S
SCHEMBL1122854 0.92 FFAR1 (0.60) NR4A2FFAR1PTGESSMPD1ALOX5
SCHEMBL1123557 0.91 PTGES (0.52) NR4A2FFAR1PTGESSMPD1MAOB
SCHEMBL1122938 0.90 BCHE (0.55) NR4A2FFAR1PTGESSMPD1MAOB
SCHEMBL1122963 0.90 FFAR1 (0.65) FFAR1PTGESKMT2AALOX5LTC4S
SCHEMBL1123174 0.88 NR4A2 (0.59) NR4A2FFAR1PTGESSMPD1MAOB
SCHEMBL1123468 0.88 KMT2A (0.54) NR4A2FFAR1PTGESSMPD1MAOB
SCHEMBL1123585 0.87 MAOB (0.51) NR4A2PTGESSMPD1MAOBKMT2A

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