SCHEMBL8159865

SCHEMBL8159865

CCCCCCP(CCCCCC)CCCS(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
FAAH O00519 4/20 0.40
CA2 P00918 3/20 0.38
CA1 P00915 2/20 0.38
APP P05067 1/20 0.38
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
PPARA Q07869 2/20 0.36
TP53 P04637 1/20 0.35
EPHX1 P07099 2/20 0.34
CES1 P23141 2/20 0.34
CES2 O00748 1/20 0.34

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
SCHEMBL8153558 0.98 EPHX2 (0.42) EPHX2FAAHCA2CA1APP
SCHEMBL29716613 0.91 APP (0.41) EPHX2FAAHCA2CA1APP
SCHEMBL29716670 0.89 EPHX2 (0.41) EPHX2FAAHCA2APPS1PR2
SCHEMBL5724651 0.88 EPHX2 (0.40) EPHX2FAAHCA2CA1APP
SCHEMBL5725664 0.88 EPHX2 (0.40) EPHX2FAAHCA2CA1APP
SCHEMBL5725117 0.88 EPHX2 (0.40) EPHX2FAAHCA2CA1APP
SCHEMBL29716625 0.87 APP (0.41) EPHX2APP
Ammonia Solution, Strong SCHEMBL27984458 0.87 CA1 (0.41) FAAHCA2CA1PPARATP53
Sulfuric Acid SCHEMBL27639647 0.87 TP53 (0.45) FAAHCA2CA1PPARATP53
SCHEMBL2318435 0.86 EPHX2 (0.42) EPHX2FAAHCA2CA1APP

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
EP-0805139-B1 HYDROFORMYLATION METHOD KURARAY CO (JP) 2000-04-26 EP disclosed
US-5773666-A CARRYING OUT REACTION IN THE PRESENCE OF A RHODIUM COMPOUND, A TERTIARY ORGANIC PHOSPHINE AND A POLAR ORGANIC COMPOUND KURARAY CO., LTD. (JP) 1998-06-30 US disclosed
EP-0805139-A1 HYDROFORMYLATION METHOD KURARAY CO., LTD. (JP) 1997-11-05 EP disclosed