SCHEMBL4525744

SCHEMBL4525744

CCCCCCC(N)CCCC(CCCCC)[SiH](O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 5/20 0.50
S1PR1 P21453 5/20 0.50
S1PR3 Q99500 5/20 0.50
S1PR4 O95977 4/20 0.50
SPHK1 Q9NYA1 2/20 0.48
CYP2D6 P10635 2/20 0.46
PLA2G1B P04054 1/20 0.46
PLA2G2A P14555 1/20 0.46
GMNN O75496 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
THPO P40225 1/20 0.46
MTOR P42345 1/20 0.46
BLM P54132 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
CETP P11597 1/20 0.46

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
SCHEMBL4522719 0.96 S1PR2 (0.50) S1PR2S1PR1S1PR3S1PR4SPHK1
SCHEMBL27775947 0.82 PLA2G1B (0.60) S1PR2S1PR1S1PR3S1PR4SPHK1
SCHEMBL10447807 0.80 PLA2G1B (0.62) S1PR2S1PR1S1PR3S1PR4SPHK1
SCHEMBL11830730 0.80 PLA2G1B (0.62) S1PR2S1PR1S1PR3S1PR4SPHK1
SCHEMBL4952280 0.80 PLA2G1B (0.62) S1PR2S1PR1S1PR3S1PR4SPHK1
SCHEMBL23141152 0.80 PLA2G1B (0.62) S1PR2S1PR1S1PR3S1PR4SPHK1
SCHEMBL20746344 0.80 PLA2G1B (0.62) S1PR2S1PR1S1PR3S1PR4SPHK1
SCHEMBL20746426 0.80 PLA2G1B (0.62) S1PR2S1PR1S1PR3S1PR4SPHK1
SCHEMBL20746505 0.80 PLA2G1B (0.62) S1PR2S1PR1S1PR3S1PR4SPHK1
SCHEMBL11289661 0.80 PLA2G1B (0.62) S1PR2S1PR1S1PR3S1PR4SPHK1

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