SCHEMBL4522713

SCHEMBL4522713

CCCCCCCCCC[Si](O)(O)CCCCCCCCCCCC(N)CCCC

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
PLA2G1B P04054 1/20 0.46
PLA2G2A P14555 1/20 0.46
SPHK1 Q9NYA1 2/20 0.44
ALDH1A1 P00352 1/20 0.43
OPRM1 P35372 1/20 0.41
CYP2D6 P10635 2/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
GMNN O75496 1/20 0.41
POLB P06746 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41
BLM P54132 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 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
SCHEMBL4514700 0.98 S1PR2 (0.47) S1PR2S1PR1S1PR3S1PR4PLA2G1B
SCHEMBL4525739 0.96 S1PR2 (0.50) S1PR2S1PR1S1PR3S1PR4PLA2G1B
SCHEMBL4512255 0.94 S1PR2 (0.52) S1PR2S1PR1S1PR3S1PR4PLA2G1B
SCHEMBL4516150 0.86 S1PR2 (0.47) S1PR2S1PR1S1PR3S1PR4PLA2G1B
SCHEMBL8980781 0.82 PLA2G1B (0.60) S1PR2S1PR1S1PR3S1PR4PLA2G1B
SCHEMBL237904 0.82 PLA2G1B (0.60) S1PR2S1PR1S1PR3S1PR4PLA2G1B
SCHEMBL5502787 0.82 PLA2G1B (0.60) S1PR2S1PR1S1PR3S1PR4PLA2G1B
SCHEMBL12656375 0.82 PLA2G1B (0.60) S1PR2S1PR1S1PR3S1PR4PLA2G1B
SCHEMBL2668921 0.82 PLA2G1B (0.60) S1PR2S1PR1S1PR3S1PR4PLA2G1B
SCHEMBL5500934 0.82 PLA2G1B (0.60) S1PR2S1PR1S1PR3S1PR4PLA2G1B

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