SCHEMBL11291699

SCHEMBL11291699

CCCCCCCCCCCCCCCCC(C(=O)O)(C(=O)O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
SCN5A Q14524 3/20 0.44
SCN9A Q15858 3/20 0.44
NAAA Q02083 1/20 0.44
KIF11 P52732 1/20 0.42
EGFR P00533 1/20 0.42
EPHX1 P07099 2/20 0.41
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL29211138 1.00 GAA (0.45) GAACES2CES1SCN5ASCN9A
SCHEMBL11288238 1.00 GAA (0.45) GAACES2CES1SCN5ASCN9A
SCHEMBL29211128 1.00 GAA (0.45) GAACES2CES1SCN5ASCN9A
SCHEMBL7102239 1.00 GAA (0.45) GAACES2CES1SCN5ASCN9A
SCHEMBL11294880 1.00 GAA (0.45) GAACES2CES1SCN5ASCN9A
SCHEMBL27708257 1.00 GAA (0.45) GAACES2CES1SCN5ASCN9A
SCHEMBL28727539 1.00 GAA (0.45) GAACES2CES1SCN5ASCN9A
SCHEMBL21269505 0.98 GAA (0.44) GAACES2CES1SCN5ASCN9A
SCHEMBL21269712 0.98 GAA (0.44) GAACES2CES1SCN5ASCN9A
SCHEMBL21269737 0.98 GAA (0.44) GAACES2CES1SCN5ASCN9A

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
US-4356315-A Carboxyphenylalkanoic acids and lower alkyl esters thereof EMERY INDUSTRIES, INC. (US) 1982-10-26 US claimed
US-4356315-A Carboxyphenylalkanoic acids and lower alkyl esters thereof EMERY INDUSTRIES, INC. (US) 1982-10-26 US disclosed