SCHEMBL4530828

SCHEMBL4530828

CCCCCCCCCCCCCCCC(N)[Si](O)(O)CCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.45
OPRM1 P35372 1/20 0.43
CYP2D6 P10635 2/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 2/20 0.42
LAP3 P28838 2/20 0.42
GMNN O75496 1/20 0.42
POLB P06746 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
BLM P54132 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CETP P11597 1/20 0.42
HTT P42858 1/20 0.42
UBE2N P61088 1/20 0.42
S1PR2 O95136 5/20 0.39
S1PR1 P21453 5/20 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
SCHEMBL4532158 0.85 SPHK1 (0.47) SPHK1OPRM1CYP2D6LMNATP53
SCHEMBL4517840 0.85 SPHK1 (0.50) SPHK1OPRM1CYP2D6LMNATP53
SCHEMBL4525623 0.85 SPHK1 (0.50) SPHK1OPRM1CYP2D6LMNATP53
SCHEMBL4513263 0.83 OPRM1 (0.46) SPHK1OPRM1CYP2D6LMNATP53
SCHEMBL4530952 0.82 OPRM1 (0.50) SPHK1OPRM1CYP2D6LMNATP53
SCHEMBL4536322 0.80 SPHK1 (0.50) SPHK1OPRM1CYP2D6LMNATP53
SCHEMBL4533597 0.80 SPHK1 (0.50) SPHK1OPRM1CYP2D6LMNATP53
SCHEMBL4522732 0.78 OPRM1 (0.50) SPHK1OPRM1CYP2D6LMNATP53
SCHEMBL4530242 0.75 DPP7 (0.41) SPHK1OPRM1CYP2D6LMNATP53
SCHEMBL10699094 0.73 OPRM1 (0.50) SPHK1OPRM1CYP2D6LMNATP53

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-7507480-B2 Corrosion-resistant metal surfaces BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) 2009-03-24 US disclosed
US-20060269760-A1 Corrosion-resistant metal surfaces ENERGY, UNITED STATES DEPARTMENT OF 2006-11-30 US disclosed