SCHEMBL27426388

SCHEMBL27426388

O=C(C(O)(c1ccccc1)C1CCCCC1)C(O)(c1ccccc1)C1CCCCC1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.77
NFE2L2 Q16236 1/20 0.77
CHRM3 P20309 11/20 0.57
CHRM2 P08172 9/20 0.57
CHRM1 P11229 8/20 0.57
POLB P06746 1/20 0.55
ALDH1A1 P00352 2/20 0.54
KCNH2 Q12809 2/20 0.52
SLC6A3 Q01959 1/20 0.52
CHRM4 P08173 1/20 0.51
CHRM5 P08912 1/20 0.51
HRH1 P35367 1/20 0.51
HTR2B P41595 1/20 0.51
CYP1A2 P05177 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL198082 0.89 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL2764243 0.89 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL29903954 0.89 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL3909615 0.89 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL198312 0.89 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL1235433 0.89 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL9906128 0.88 KEAP1 (0.70) KEAP1NFE2L2CHRM3CHRM2CHRM1
Hydrochloric Acid SCHEMBL6004238 0.87 KEAP1 (0.93) KEAP1NFE2L2CHRM3CHRM2CHRM1
Hydrochloric Acid SCHEMBL8204903 0.87 KEAP1 (0.93) KEAP1NFE2L2CHRM3CHRM2CHRM1
Water SCHEMBL8898031 0.87 KEAP1 (0.93) KEAP1NFE2L2CHRM3CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105505191-B A kind of UV vacuum coating crackle coating and preparation method thereof 滁州金桥德克新材料有限公司 2019-04-05 CN disclosed
CN-1113840-C Synthesis method of alpha-hydroxycyclohexylbenzyl ketone SHI CAIYUN (CN) 2003-07-09 CN disclosed
CN-1281845-A Synthesis method of alpha-hydroxycyclohexylbenzyl ketone SHI CAIYUN (CN) 2001-01-31 CN disclosed