SCHEMBL1122938

SCHEMBL1122938

CCCCc1ccc(COc2cccc(C(=O)N(CCC(=O)O)Cc3cccc(OCc4ccccc4)c3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.55
PPARG P37231 1/20 0.55
SMPD1 P17405 1/20 0.55
FFAR1 O14842 2/20 0.54
KMT2A Q03164 1/20 0.52
PTGES O14684 1/20 0.51
LPAR1 Q92633 2/20 0.49
MAOB P27338 1/20 0.49
NR4A2 P43354 1/20 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
SCHEMBL1123126 0.94 BCHE (0.53) BCHEPPARGSMPD1FFAR1KMT2A
SCHEMBL1122608 0.94 FFAR1 (0.59) BCHEPPARGSMPD1FFAR1KMT2A
SCHEMBL1123260 0.90 FFAR1 (0.60) PPARGSMPD1FFAR1KMT2APTGES
SCHEMBL1122984 0.90 NR4A2 (0.56) PPARGSMPD1FFAR1KMT2APTGES
SCHEMBL1123059 0.87 SMPD1 (0.54) BCHEPPARGSMPD1KMT2APTGES
SCHEMBL1123559 0.87 FFAR1 (0.62) PPARGSMPD1FFAR1KMT2APTGES
SCHEMBL1123389 0.87 BCHE (0.57) BCHEFFAR1LPAR1
SCHEMBL1123468 0.85 KMT2A (0.54) SMPD1FFAR1KMT2APTGESLPAR1
SCHEMBL1122854 0.84 FFAR1 (0.60) SMPD1FFAR1PTGESNR4A2
SCHEMBL1123087 0.84 FFAR1 (0.56) BCHESMPD1FFAR1KMT2APTGES

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