SCHEMBL4530303

SCHEMBL4530303

CCNCCCc1ccccc1[SiH](O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MPO P05164 9/20 0.44
SLC6A4 P31645 2/20 0.44
HTR2A P28223 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CA12 O43570 4/20 0.36
CA2 P00918 4/20 0.36
CA9 Q16790 4/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL2525305 0.80 LIPG (0.47)
SCHEMBL1780725 0.80 LIPG (0.37)
SCHEMBL4522878 0.75 TAAR1 (0.53) MPOHTR2ASIGMAR1KDM4ETSHR
SCHEMBL18977430 0.75 CHRM2 (0.55) MPOSLC6A4HTR2ASIGMAR1TSHR
SCHEMBL30740916 0.74 TAAR1 (0.56) MPOSLC6A4HTR2ASIGMAR1
SCHEMBL4533827 0.73 TAAR1 (0.41) MPOSLC6A4HTR2A
SCHEMBL6841740 0.73 ALDH1A1 (0.35) MPOSLC6A4
SCHEMBL1917938 0.72 GABRA1 (0.46) SIGMAR1
SCHEMBL8675623 0.71 MPO (0.41) MPOSLC6A4HTR2ASIGMAR1
SCHEMBL27593083 0.71 MPO (0.66) MPOTSHR

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