SCHEMBL4535976

SCHEMBL4535976

C=CCNCCCCCCCCCCCC[Si](C)(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
PAOX Q6QHF9 2/20 0.33
FAAH O00519 1/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
SMOX Q9NWM0 1/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL4524282 0.86 PAOX (0.37) KDM1ACNR1CNR2PAOXFAAH
SCHEMBL4523024 0.84 PAOX (0.38) KDM1ACNR1CNR2PAOXKDM4E
SCHEMBL4529808 0.79 KDM1A (0.35) KDM1ACNR1CNR2PAOXFAAH
SCHEMBL17291826 0.78 PAOX (0.48) KDM1ACNR1CNR2PAOXKDM4E
SCHEMBL17291829 0.78 PAOX (0.48) KDM1ACNR1CNR2PAOXKDM4E
SCHEMBL17291817 0.78 PAOX (0.48) KDM1ACNR1CNR2PAOXKDM4E
SCHEMBL17291824 0.78 PAOX (0.48) KDM1ACNR1CNR2PAOXKDM4E
SCHEMBL5611725 0.78 PAOX (0.48) KDM1ACNR1CNR2PAOXKDM4E
SCHEMBL17291809 0.78 PAOX (0.48) KDM1ACNR1CNR2PAOXKDM4E
SCHEMBL3021057 0.78 PAOX (0.48) KDM1ACNR1CNR2PAOXKDM4E

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