SCHEMBL4522710

SCHEMBL4522710

CCCC(CCCCCCCCCCCCCCCCCCN)[SiH](O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
EPHX1 P07099 1/20 0.42
SPHK1 Q9NYA1 2/20 0.41
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
TRPA1 O75762 1/20 0.37
CPB2 Q96IY4 1/20 0.36
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
CYP2D6 P10635 1/20 0.34
THPO P40225 1/20 0.34
MTOR P42345 1/20 0.34
BLM P54132 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
SCHEMBL4527181 0.98 DNM1 (0.39) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL4513313 0.85 DNM1 (0.39) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL4525996 0.85 DNM1 (0.39) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL4529917 0.82 OPRM1 (0.52) ALDH1A1SPHK1TRPV1TRPA1GMNN
SCHEMBL24050099 0.76 DNM1 (0.48) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL29489779 0.76 DNM1 (0.48) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL4529624 0.76 SPHK1 (0.31) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL4530360 0.74 SPHK1 (0.43) ALDH1A1SPHK1GMNNLMNAPOLB
SCHEMBL4525744 0.73 S1PR2 (0.50) ALDH1A1SPHK1GMNNLMNAPOLB
SCHEMBL4522719 0.73 S1PR2 (0.50) ALDH1A1SPHK1GMNNLMNAPOLB

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