SCHEMBL1123559

SCHEMBL1123559

O=C(O)CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1cccc(OCc2cccc(OCc3ccccc3)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.62
KMT2A Q03164 1/20 0.56
FFAR4 Q5NUL3 3/20 0.54
NR4A2 P43354 1/20 0.53
PTGES O14684 1/20 0.53
SMPD1 P17405 1/20 0.52
MAOB P27338 1/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SLC2A1 P11166 2/20 0.51
SLC2A4 P14672 1/20 0.51
PTPN1 P18031 1/20 0.50
PPARG P37231 1/20 0.49
AKR1B1 P15121 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
SCHEMBL1123260 0.97 FFAR1 (0.60) FFAR1KMT2AFFAR4NR4A2PTGES
SCHEMBL1122963 0.96 FFAR1 (0.65) FFAR1KMT2AFFAR4PTGESSMN1; SMN2
SCHEMBL1122984 0.94 NR4A2 (0.56) FFAR1KMT2ANR4A2PTGESSMPD1
SCHEMBL1123113 0.92 FFAR1 (0.62) FFAR1FFAR4NR4A2PTGESSMN1; SMN2
SCHEMBL1122854 0.91 FFAR1 (0.60) FFAR1FFAR4NR4A2PTGESSMPD1
SCHEMBL1123394 0.91 KMT2A (0.52) FFAR1KMT2AFFAR4NR4A2PTGES
SCHEMBL1123468 0.89 KMT2A (0.54) FFAR1KMT2ANR4A2PTGESSMPD1
SCHEMBL1123118 0.89 KMT2A (0.58) FFAR1KMT2AFFAR4NR4A2PTGES
SCHEMBL1123421 0.88 NPC1 (0.53) FFAR1KMT2ANR4A2PTGESMAOB
SCHEMBL1123557 0.88 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