SCHEMBL4524282

SCHEMBL4524282

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 2/20 0.37
SMOX Q9NWM0 1/20 0.35
KDM1A O60341 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
FAAH O00519 1/20 0.32
LMNA P02545 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
SCHEMBL4523024 0.98 PAOX (0.38) PAOXSMOXKDM1ACNR1CNR2
SCHEMBL4535976 0.86 KDM1A (0.36) PAOXSMOXKDM1ACNR1CNR2
SCHEMBL17291829 0.83 PAOX (0.48) PAOXSMOXKDM1ACNR1CNR2
SCHEMBL17291809 0.83 PAOX (0.48) PAOXSMOXKDM1ACNR1CNR2
SCHEMBL17291824 0.83 PAOX (0.48) PAOXSMOXKDM1ACNR1CNR2
SCHEMBL17291826 0.83 PAOX (0.48) PAOXSMOXKDM1ACNR1CNR2
SCHEMBL3021057 0.83 PAOX (0.48) PAOXSMOXKDM1ACNR1CNR2
SCHEMBL17291817 0.83 PAOX (0.48) PAOXSMOXKDM1ACNR1CNR2
SCHEMBL5611725 0.83 PAOX (0.48) PAOXSMOXKDM1ACNR1CNR2
Hydrochloric Acid SCHEMBL3027761 0.81 SMOX (0.50) PAOXSMOXKDM1ACNR1CNR2

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