SCHEMBL1123389

SCHEMBL1123389

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

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.57
FFAR1 O14842 1/20 0.56
FFAR4 Q5NUL3 1/20 0.56
ALOX5 P09917 1/20 0.56
HDAC1 Q13547 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC3 O15379 1/20 0.53
HDAC2 Q92769 1/20 0.53
LPAR1 Q92633 2/20 0.52
LPAR2 Q9HBW0 1/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.52
LPAR5 Q9H1C0 1/20 0.52

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
SCHEMBL1122608 0.93 FFAR1 (0.59) BCHEFFAR1FFAR4ALOX5
SCHEMBL1123374 0.93 BCHE (0.54) BCHEALOX5HDAC1HDAC6HDAC3
SCHEMBL1123268 0.89 BCHE (0.56) BCHEFFAR1FFAR4ALOX5LPAR1
SCHEMBL1122938 0.87 BCHE (0.55) BCHEFFAR1LPAR1
SCHEMBL1123224 0.86 BCHE (0.53) BCHEALOX5LPAR1NPC1ALDH1A1
SCHEMBL7210516 0.85 BCHE (0.60) BCHE
SCHEMBL6795437 0.85
SCHEMBL1122963 0.84 FFAR1 (0.65) FFAR1FFAR4ALOX5LPAR1LPAR5
SCHEMBL7210509 0.84 BCHE (0.51) BCHEALOX5LPAR1
SCHEMBL1123087 0.82 FFAR1 (0.56) BCHEFFAR1ALOX5

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 2 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
CN-1835914-A New benzamides as PPAR[upsilon] modulators S A L V A T LAB SA (ES) 2006-09-20 CN disclosed