SCHEMBL28455296

SCHEMBL28455296

CCCCCCCCOC(=O)C1(C(=O)O)CCCCC1CCCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NAAA Q02083 5/20 0.36
CES2 O00748 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
EPHX1 P07099 1/20 0.35
TSHR P16473 2/20 0.34
ABCB11 O95342 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CYP3A4 P08684 1/20 0.34
CHRM5 P08912 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM1 P11229 1/20 0.34
CYP2C9 P11712 1/20 0.34
CHRM3 P20309 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
SCHEMBL28336960 0.97 GAA (0.39) GAAMAPK1HTTSMN1; SMN2NAAA
SCHEMBL1298290 0.86 ARG1 (0.32) MAPK1NAAAEPHX1TSHRABCB11
SCHEMBL27812725 0.86 TDP1 (0.39) NAAA
SCHEMBL17812744 0.76 NAAA (0.36) NAAATSHR
SCHEMBL21998276 0.75 MEN1 (0.36) GAAMAPK1HTTSMN1; SMN2HCAR2
SCHEMBL6009787 0.74 ALOX5 (0.40) TSHR
SCHEMBL27260326 0.73 CYP4F2 (0.53) NAAACES2EPHX1TSHR
SCHEMBL16086400 0.73 NAAA (0.46) NAAACES2HCAR2EPHX1TSHR
SCHEMBL17812502 0.73 NAAA (0.46) NAAACES2HCAR2EPHX1TSHR
SCHEMBL11097038 0.73 EPHX1 (0.47) SMN1; SMN2NAAAEPHX1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114671763-A Preparation method of 1, 2-cyclohexanedicarboxylic acid dioctyl ester 浙江嘉澳环保科技股份有限公司 2022-06-28 CN claimed
CN-114671763-B Preparation method of 1, 2-dioctyl cyclohexanedicarboxylate 浙江嘉澳环保科技股份有限公司 2024-06-18 CN disclosed
CN-114671763-B Preparation method of 1, 2-dioctyl cyclohexanedicarboxylate 浙江嘉澳环保科技股份有限公司 2024-06-18 CN disclosed
CN-114671763-B Preparation method of 1, 2-dioctyl cyclohexanedicarboxylate 浙江嘉澳环保科技股份有限公司 2024-06-18 CN disclosed
CN-113461902-B Siloxane-terminated polymer homo-polymerization preparation method and moisture-curing composition 娄从江 2023-03-14 CN disclosed
CN-115532265-A Halloysite-loaded nickel-based nano catalyst and preparation method and application thereof 河北大学 2022-12-30 CN disclosed
CN-111617765-B Nickel-based nano catalyst derived from hydrotalcite-montmorillonite composite material and preparation method and application thereof 河北大学 2022-07-05 CN disclosed
CN-114671763-A Preparation method of 1, 2-cyclohexanedicarboxylic acid dioctyl ester 浙江嘉澳环保科技股份有限公司 2022-06-28 CN disclosed
CN-114671763-A Preparation method of 1, 2-cyclohexanedicarboxylic acid dioctyl ester 浙江嘉澳环保科技股份有限公司 2022-06-28 CN disclosed
CN-111617765-A Nickel-based nano catalyst derived from hydrotalcite-montmorillonite composite material and preparation method and application thereof 河北大学 2020-09-04 CN disclosed