SCHEMBL18905366

SCHEMBL18905366

CC(O)(c1ccc([SiH3])cc1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2D6 P10635 5/20 0.38
CHRM2 P08172 5/20 0.38
CHRM1 P11229 5/20 0.38
KCNH2 Q12809 4/20 0.38
CYP19A1 P11511 2/20 0.37
CHRM3 P20309 6/20 0.37
CYP3A4 P08684 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
HRH1 P35367 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 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
SCHEMBL18905316 0.98 KEAP1 (0.41) KEAP1NFE2L2ATML3MBTL1CYP2D6
SCHEMBL18905434 0.84 CYP19A1 (0.35) KEAP1NFE2L2ATML3MBTL1CYP2D6
SCHEMBL19130799 0.83 NPC1 (0.42) KEAP1NFE2L2CYP2D6CHRM2CHRM1
SCHEMBL18911003 0.83 NPC1 (0.42) KEAP1NFE2L2CYP2D6CHRM2CHRM1
SCHEMBL9906166 0.82 KEAP1 (0.56) KEAP1NFE2L2ATML3MBTL1CYP2D6
SCHEMBL18415154 0.82 KEAP1 (0.56) KEAP1NFE2L2ATML3MBTL1CYP2D6
SCHEMBL13429177 0.82 KEAP1 (0.56) KEAP1NFE2L2ATML3MBTL1CYP2D6
SCHEMBL13131231 0.82 KEAP1 (0.56) KEAP1NFE2L2ATML3MBTL1CYP2D6
SCHEMBL18905379 0.82 KEAP1 (0.35) KEAP1NFE2L2ATML3MBTL1CYP2D6
SCHEMBL14376208 0.81 CYP19A1 (0.42) KEAP1NFE2L2CYP2D6CHRM2CHRM1

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
US-20170154766-A1 SILICON-CONTAINING CONDENSATE, COMPOSITION FOR FORMING A SILICON-CONTAINING RESIST UNDER LAYER FILM, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-06-01 US disclosed