SCHEMBL3347786

SCHEMBL3347786

CCCCCCCCC(O)(SCc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
EPHX2 P34913 2/20 0.42
CETP P11597 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL22120898 0.84 EPHX2 (0.43) GAAEPHX2CETPMEN1KMT2A
SCHEMBL5609738 0.83 CNR2 (0.37) ALDH1A1PPARGPPARA
SCHEMBL9107152 0.82 EPHX2 (0.42) GAAEPHX2CETPMEN1KMT2A
SCHEMBL2695933 0.81 ESR1 (0.44) MEN1KMT2AALDH1A1PPARA
SCHEMBL6355347 0.81 RXRA (0.41) PPARGPPARA
SCHEMBL29171804 0.79 GAA (0.40) GAAMEN1KMT2AALDH1A1
SCHEMBL7073690 0.77 GAA (0.46) GAAKMT2AALDH1A1
SCHEMBL11550381 0.76 GMNN (0.48)
SCHEMBL9809398 0.74 CYP2C19 (0.44) MEN1KMT2A
SCHEMBL6265356 0.74 KIF11 (0.44) EPHX2CETPMEN1KMT2A

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
WO-2010066860-A1 LUBRICATING COMPOSITIONS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2010-06-17 WO disclosed