SCHEMBL4524434

SCHEMBL4524434

CCC(CCCCCCCCCCC(C)N)[SiH](O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.48
TP53 P04637 2/20 0.44
TRPV1 Q8NER1 1/20 0.41
TRPA1 O75762 1/20 0.41
SPHK1 Q9NYA1 2/20 0.41
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP2D6 P10635 2/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
THPO P40225 1/20 0.34
MTOR P42345 1/20 0.34
BLM P54132 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CETP P11597 1/20 0.34
HTT P42858 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
SCHEMBL4531326 0.94 OPRM1 (0.44) OPRM1TP53TRPV1TRPA1SPHK1
SCHEMBL4529917 0.86 OPRM1 (0.52) OPRM1TP53TRPV1TRPA1SPHK1
SCHEMBL4513313 0.81 DNM1 (0.39) TRPV1TRPA1SPHK1ALDH1A1TSHR
SCHEMBL4525996 0.81 DNM1 (0.39) TRPV1TRPA1SPHK1ALDH1A1TSHR
SCHEMBL4529624 0.76 SPHK1 (0.31) TRPV1TRPA1SPHK1ALDH1A1TDP1
SCHEMBL16409448 0.76 OPRM1 (0.54) OPRM1TP53TRPV1TRPA1SPHK1
SCHEMBL10922365 0.74 OPRM1 (0.71) OPRM1TP53TRPV1TRPA1SPHK1
SCHEMBL7734724 0.74 OPRM1 (0.71) OPRM1TP53TRPV1TRPA1SPHK1
SCHEMBL49007 0.74 OPRM1 (0.71) OPRM1TP53TRPV1TRPA1SPHK1
SCHEMBL28211132 0.74 OPRM1 (0.71) OPRM1TP53TRPV1TRPA1SPHK1

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