SCHEMBL4536320

SCHEMBL4536320

CNCCCCCCCCCCCC[Si](O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.48
SIGMAR1 Q99720 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4A O75164 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
PAOX Q6QHF9 1/20 0.31
S1PR2 O95136 5/20 0.30
S1PR4 O95977 5/20 0.30
S1PR1 P21453 5/20 0.30
S1PR3 Q99500 5/20 0.30
S1PR5 Q9H228 1/20 0.30

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
SCHEMBL4533873 1.00 EPHX1 (0.48) EPHX1SIGMAR1KDM4EMAPK1HIF1A
SCHEMBL4529300 0.97 EPHX1 (0.43) EPHX1SIGMAR1KDM4EMAPK1HIF1A
SCHEMBL4531106 0.89
SCHEMBL4533506 0.82 EPHX1 (0.46) EPHX1SIGMAR1KDM4EMAPK1HIF1A
SCHEMBL4530750 0.82 EPHX1 (0.46) EPHX1SIGMAR1KDM4EMAPK1HIF1A
SCHEMBL4517034 0.79 EPHX1 (0.42) EPHX1SIGMAR1KDM4EMAPK1HIF1A
SCHEMBL4533867 0.77
SCHEMBL7519363 0.76 EPHX1 (0.73) EPHX1SIGMAR1KDM4EMAPK1HIF1A
SCHEMBL7519351 0.76 EPHX1 (0.73) EPHX1SIGMAR1KDM4EMAPK1HIF1A
SCHEMBL6838885 0.76 EPHX1 (0.73) EPHX1SIGMAR1KDM4EMAPK1HIF1A

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