SCHEMBL1122799

SCHEMBL1122799

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
LTA4H P09960 3/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TSPO P30536 1/20 0.48
BCHE P06276 3/20 0.47
ALOX5 P09917 2/20 0.47
HRH3 Q9Y5N1 1/20 0.47
ACHE P22303 1/20 0.46
LPAR1 Q92633 1/20 0.46
LPAR5 Q9H1C0 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46

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
SCHEMBL1122636 0.88 BCHE (0.50) NPC1LMNARAB9AKMT2ABCHE
SCHEMBL1123250 0.87 L3MBTL1 (0.53) L3MBTL1NPC1ALDH1A1LMNAMAPT
SCHEMBL1123230 0.87 LPAR1 (0.48) NPC1LMNALTA4HALOX5LPAR1
SCHEMBL1123181 0.85 LPAR1 (0.49) MAPTLTA4HKMT2ALPAR1LPAR5
SCHEMBL1123229 0.82 SLC2A1 (0.55) NPC1ALDH1A1LMNAMAPTRAB9A
SCHEMBL1122802 0.82 L3MBTL1 (0.47) L3MBTL1NPC1ALDH1A1LMNAMAPT
SCHEMBL1123467 0.82 NPC1 (0.55) L3MBTL1NPC1ALDH1A1LMNAMAPT
SCHEMBL1123052 0.81 NR4A1 (0.45) NPC1ALDH1A1LMNAMAPTRAB9A
SCHEMBL1123324 0.80 LPAR1 (0.46) L3MBTL1ALDH1A1MEN1KMT2ALPAR1
SCHEMBL1123270 0.80 ALOX5 (0.53) L3MBTL1NPC1ALDH1A1LMNAMAPT

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 3 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
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