SCHEMBL4525751

SCHEMBL4525751

CC[Si](O)(O)CNC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
PABPC1 P11940 1/20 0.36
EPHX1 P07099 2/20 0.35
ALDH1A1 P00352 2/20 0.35
DPP7 Q9UHL4 2/20 0.35
ANPEP P15144 2/20 0.34
ERAP2 Q6P179 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL12891509 0.78 KDM4E (0.45) KDM4EPABPC1EPHX1ALDH1A1DPP7
SCHEMBL9452259 0.78 KDM4E (0.45) KDM4EPABPC1EPHX1ALDH1A1DPP7
SCHEMBL4526083 0.78 KDM4E (0.48) KDM4EPABPC1EPHX1ALDH1A1DPP7
SCHEMBL3633450 0.73 KDM4E (0.43) KDM4EPABPC1ALDH1A1DPP7ANPEP
SCHEMBL6056865 0.72 KDM4E (0.37) KDM4EALDH1A1HTTKMT2APOLB
SCHEMBL16192599 0.71 KDM4E (0.34) KDM4EALDH1A1DPP7HTTKMT2A
SCHEMBL9452442 0.70 KDM4E (0.40) KDM4EPABPC1EPHX1ALDH1A1DPP7
SCHEMBL141765 0.69 KDM4E (0.36) KDM4EALDH1A1DPP7HTTKMT2A
SCHEMBL24728 0.69
SCHEMBL22416728 0.69 KDM4E (0.48) KDM4EPABPC1EPHX1ALDH1A1DPP7

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