SCHEMBL1123268

SCHEMBL1123268

CCCCc1ccc(COc2ccc(C(=O)N(CC(=O)O)Cc3ccc(OCc4ccccc4)cc3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.56
ALOX5 P09917 2/20 0.55
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
FFAR1 O14842 1/20 0.52
FFAR4 Q5NUL3 1/20 0.52
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
LPAR1 Q92633 1/20 0.51
LPAR5 Q9H1C0 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAOB P27338 1/20 0.50
EGFR P00533 1/20 0.50
LTA4H P09960 1/20 0.50
EPHX2 P34913 1/20 0.50

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
SCHEMBL1123087 0.93 FFAR1 (0.56) BCHEALOX5FFAR1MEN1KMT2A
SCHEMBL1123224 0.90 BCHE (0.53) BCHEALOX5NPC1ALDH1A1LMNA
SCHEMBL1123389 0.89 BCHE (0.57) BCHEALOX5NPC1ALDH1A1LMNA
SCHEMBL1123374 0.84 BCHE (0.54) BCHEALOX5LPAR1LPAR5
SCHEMBL1123043 0.84 BCHE (0.52) BCHEALOX5NPC1RAB9AFFAR1
SCHEMBL1123270 0.83 ALOX5 (0.53) ALOX5NPC1ALDH1A1LMNAMAPT
SCHEMBL7210516 0.83 BCHE (0.60) BCHE
SCHEMBL6795437 0.83
SCHEMBL1122608 0.82 FFAR1 (0.59) BCHEALOX5FFAR1FFAR4MEN1
SCHEMBL1123250 0.82 L3MBTL1 (0.53) BCHEALOX5NPC1ALDH1A1LMNA

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