SCHEMBL1123224

SCHEMBL1123224

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

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.53
ALOX5 P09917 1/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
PTPN1 P18031 1/20 0.49
LPAR1 Q92633 2/20 0.48
LPAR5 Q9H1C0 2/20 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
SCHEMBL1123043 0.93 BCHE (0.52) BCHEALOX5NPC1RAB9AMEN1
SCHEMBL1123268 0.90 BCHE (0.56) BCHEALOX5NPC1RAB9AALDH1A1
SCHEMBL1123374 0.90 BCHE (0.54) BCHEALOX5LPAR1LPAR5
SCHEMBL1123059 0.87 SMPD1 (0.54) BCHEKMT2ALPAR1
SCHEMBL1123389 0.86 BCHE (0.57) BCHEALOX5NPC1RAB9AALDH1A1
SCHEMBL1123087 0.83 FFAR1 (0.56) BCHEALOX5MEN1KMT2A
SCHEMBL6795437 0.80
SCHEMBL7210516 0.80 BCHE (0.60) BCHE
SCHEMBL1122608 0.80 FFAR1 (0.59) BCHEALOX5MEN1KMT2A
SCHEMBL1123126 0.78 BCHE (0.53) BCHEKMT2ALPAR1

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