SCHEMBL4533506

SCHEMBL4533506

CNCCCCCCCCCCCC[Si](C)(O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.46
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
SIGMAR1 Q99720 2/20 0.34
KDM4A O75164 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
PAOX Q6QHF9 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL4530750 1.00 EPHX1 (0.46) EPHX1KDM4EMAPK1HIF1AHDAC3
SCHEMBL4517034 0.97 EPHX1 (0.42) EPHX1KDM4EMAPK1HIF1AHDAC3
SCHEMBL26668759 0.90
SCHEMBL4536320 0.82 EPHX1 (0.48) EPHX1KDM4EMAPK1HIF1ASIGMAR1
SCHEMBL4533873 0.82 EPHX1 (0.48) EPHX1KDM4EMAPK1HIF1ASIGMAR1
SCHEMBL13254747 0.81 HDAC3 (0.41) KDM4EMAPK1HIF1AHDAC3HDAC4
SCHEMBL4529300 0.79 EPHX1 (0.43) EPHX1KDM4EMAPK1HIF1ASIGMAR1
SCHEMBL4519318 0.76 CYP2C19 (0.50) EPHX1KDM4EMAPK1HIF1AHDAC3
SCHEMBL4521495 0.75 ALDH1A1 (0.56) EPHX1PAOX
SCHEMBL7519363 0.74 EPHX1 (0.73) EPHX1KDM4EMAPK1HIF1ASIGMAR1

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