SCHEMBL4513313

SCHEMBL4513313

CCC(CCCCCCCCCCCCCCCCCCCCCCN)[SiH](O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 9/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
EPHX1 P07099 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
TRPA1 O75762 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
CPB2 Q96IY4 2/20 0.37
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35

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
SCHEMBL4525996 1.00 DNM1 (0.39) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL4529624 0.91 SPHK1 (0.31) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL4522710 0.85 DNM1 (0.42) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL4527181 0.83 DNM1 (0.39) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL4524434 0.81 OPRM1 (0.48) ALDH1A1TSHRTRPV1TRPA1SPHK1
SCHEMBL2925700 0.75 DNM1 (0.36) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL14286699 0.75 DNM1 (0.43) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL9319909 0.75 DNM1 (0.43) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL28305965 0.75 DNM1 (0.43) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL13354479 0.75 DNM1 (0.43) DNM1MEN1KMT2AALDH1A1TSHR

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