SCHEMBL4526083

SCHEMBL4526083

O[Si](O)(O)CNC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
PABPC1 P11940 1/20 0.41
DPP7 Q9UHL4 2/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ANPEP P15144 2/20 0.38
ERAP2 Q6P179 2/20 0.38
HTT P42858 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
EPHX1 P07099 6/20 0.37
CYP3A4 P08684 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
EPHX2 P34913 1/20 0.37
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL9452259 0.81 KDM4E (0.45) KDM4EPABPC1DPP7ALDH1A1HSD17B10
SCHEMBL12891509 0.81 KDM4E (0.45) KDM4EPABPC1DPP7ALDH1A1HSD17B10
SCHEMBL4525751 0.78 KDM4E (0.42) KDM4EPABPC1DPP7ALDH1A1HSD17B10
SCHEMBL3633450 0.75 KDM4E (0.43) KDM4EPABPC1DPP7ALDH1A1HSD17B10
SCHEMBL4530519 0.73 CXCR4 (0.49) KDM4EHRH3
SCHEMBL26163004 0.73 KDM4E (0.56) KDM4EPABPC1DPP7ALDH1A1HSD17B10
SCHEMBL19721644 0.73 KDM4E (0.56) KDM4EPABPC1DPP7ALDH1A1HSD17B10
SCHEMBL1044361 0.73
SCHEMBL9452442 0.71 KDM4E (0.40) KDM4EPABPC1DPP7ALDH1A1HSD17B10
Water SCHEMBL13278005 0.70 KDM4E (0.54) KDM4EPABPC1DPP7ALDH1A1HSD17B10

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