SCHEMBL3242856

SCHEMBL3242856

CCCCCCC(C)(C(=O)O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
SCN5A Q14524 3/20 0.43
SCN9A Q15858 3/20 0.43
NAAA Q02083 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
KIF11 P52732 1/20 0.41
EGFR P00533 1/20 0.41
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 1/20 0.41
EPHX1 P07099 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
SCHEMBL6344599 1.00 GAA (0.44) GAACES2CES1SCN5ASCN9A
SCHEMBL29456136 1.00 GAA (0.44) GAACES2CES1SCN5ASCN9A
SCHEMBL29456058 1.00 GAA (0.44) GAACES2CES1SCN5ASCN9A
SCHEMBL28727429 0.98 GAA (0.43) GAACES2CES1SCN5ASCN9A
SCHEMBL28727398 0.98 GAA (0.43) GAACES2CES1SCN5ASCN9A
SCHEMBL28729552 0.98 GAA (0.43) GAACES2CES1SCN5ASCN9A
SCHEMBL28727674 0.98 GAA (0.43) GAACES2CES1SCN5ASCN9A
SCHEMBL28729541 0.98 GAA (0.43) GAACES2CES1SCN5ASCN9A
SCHEMBL28727663 0.98 GAA (0.43) GAACES2CES1SCN5ASCN9A
SCHEMBL28727490 0.98 GAA (0.43) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010039531-A1 THERAPEUTIC COMPOUNDS RESOLVYX PHARMACEUTICALS, INC. (US) 2010-04-08 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed