SCHEMBL28062829

SCHEMBL28062829

CCC(C)(CC)O[SiH2]c1cccc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.39
PNMT P11086 2/20 0.36
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34
CYP3A4 P08684 2/20 0.33
IDO1 P14902 2/20 0.33
AGXT P21549 2/20 0.33
CYP2B6 P20813 1/20 0.33
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
AOC3 Q16853 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
ITGA5 P08648 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL28062748 0.84 ALDH1A1 (0.34) RIPK1PNMTTSHRCYP3A4IDO1
SCHEMBL28010858 0.79
SCHEMBL28062816 0.79 RIPK1 (0.39) RIPK1IDO1AGXTKMT2ATAAR1
SCHEMBL28062729 0.78 HTR2A (0.35) TSHRCYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL712794 0.75 CYP1A2 (0.30) CYP2C19
SCHEMBL28062812 0.74 PNMT (0.37) PNMTCYP3A4IDO1AGXTAOC3
SCHEMBL18844811 0.69 CYP3A4 (0.53) RIPK1PNMTCYP3A4IDO1AGXT
SCHEMBL2950779 0.69
SCHEMBL6708613 0.67 CYP1A2 (0.35) RIPK1TSHRCYP2C19KMT2AALDH1A1
SCHEMBL28062805 0.67 ALDH1A1 (0.33) CYP3A4ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105555901-A Polishing composition FUJIMI INC 2016-05-04 CN disclosed