SCHEMBL1123250

SCHEMBL1123250

O=C(O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1ccc(OCCN(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
ALOX5 P09917 4/20 0.52
LPAR1 Q92633 1/20 0.51
LPAR5 Q9H1C0 1/20 0.51
PTGES O14684 1/20 0.50
PPARG P37231 2/20 0.49
PPARA Q07869 2/20 0.49
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
EGFR P00533 2/20 0.47
BCHE P06276 1/20 0.47
MAOB P27338 2/20 0.47

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
SCHEMBL1123270 0.92 ALOX5 (0.53) L3MBTL1ALOX5LPAR1LPAR5PTGES
SCHEMBL1122799 0.87 L3MBTL1 (0.53) L3MBTL1ALOX5LPAR1LPAR5PTGS1
SCHEMBL1122914 0.86 KMT2A (0.51) ALOX5PTGESPPARGPPARANR4A2
SCHEMBL1122837 0.85 PPARG (0.51) L3MBTL1ALOX5LPAR1LPAR5PTGES
SCHEMBL1123016 0.84 RAB9A (0.51) ALOX5LPAR1LPAR5PTGESLMNA
SCHEMBL1122949 0.83 FFAR1 (0.52) ALOX5PTGESPPARGPPARABCHE
SCHEMBL1123189 0.83 LPAR1 (0.51) L3MBTL1LPAR1LPAR5PPARGPPARA
SCHEMBL1123394 0.82 KMT2A (0.52) L3MBTL1PTGESPPARGPPARANR4A2
SCHEMBL1123268 0.82 BCHE (0.56) L3MBTL1ALOX5LPAR1LPAR5PTGS1
SCHEMBL11840883 0.81 L3MBTL1 (0.57) L3MBTL1ALOX5PTGS1PTGS2LMNA

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