SCHEMBL1123374

SCHEMBL1123374

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

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.54
ALOX5 P09917 1/20 0.53
LPAR1 Q92633 6/20 0.52
LPAR5 Q9H1C0 3/20 0.52
HDAC1 Q13547 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC2 Q92769 1/20 0.50
LPAR2 Q9HBW0 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
SCHEMBL1123389 0.93 BCHE (0.57) BCHEALOX5LPAR1LPAR5HDAC1
SCHEMBL1123224 0.90 BCHE (0.53) BCHEALOX5LPAR1LPAR5
SCHEMBL1123126 0.88 BCHE (0.53) BCHELPAR1
SCHEMBL1122608 0.88 FFAR1 (0.59) BCHEALOX5
SCHEMBL1123043 0.85 BCHE (0.52) BCHEALOX5
SCHEMBL1123120 0.84 BCHE (0.61) BCHE
SCHEMBL1123268 0.84 BCHE (0.56) BCHEALOX5LPAR1LPAR5
SCHEMBL1123468 0.82 KMT2A (0.54) LPAR1
SCHEMBL7210516 0.82 BCHE (0.60) BCHE
SCHEMBL6795437 0.82

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