SCHEMBL28336601

SCHEMBL28336601

CCCCCCCCCCCCCCCC(=O)C(C)(CN)C(=O)CCCCCCCCCCCCCCC.COS(=O)(=O)O

nearest known ligand 0.43

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 11/20 0.43
▸ CES1 P23141 10/20 0.43
▸ CES2 O00748 5/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CA12 O43570 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ GPR84 Q9NQS5 2/20 0.36
▸ PPARG P37231 2/20 0.36
▸ PPARD Q03181 2/20 0.36
▸ PPARA Q07869 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SLC22A6 Q4U2R8 1/20 0.36
▸ SLC22A8 Q8TCC7 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
SCHEMBL28516851 0.92 FAAH (0.51) FAAHCES1MEN1CYP1A2KMT2A
Sulfuric Acid SCHEMBL28748104 0.90 FAAH (0.48) FAAHCES1CES2MEN1CYP1A2
SCHEMBL28521159 0.87 FAAH (0.55) FAAHCES1CES2MEN1CYP1A2
Hydrochloric Acid SCHEMBL28916537 0.85 FAAH (0.53) FAAHCES1CES2MEN1CYP1A2
SCHEMBL28363537 0.84 FAAH (0.46) FAAHCES1CES2MEN1CYP1A2
SCHEMBL28334153 0.84 FAAH (0.40) FAAHCES1CES2MEN1CYP1A2
SCHEMBL28498503 0.84 FAAH (0.40) FAAHCES1CES2MEN1CYP1A2
SCHEMBL19409848 0.80 FAAH (0.42) FAAHCES1CES2MEN1CYP1A2
SCHEMBL28646473 0.80 FAAH (0.42) FAAHCES1CES2MEN1CYP1A2
SCHEMBL28770776 0.78 FAAH (0.50) FAAHCES1CES2MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106170319-B Compositions and dispersions comprising polymer-containing particles 欧莱雅 2019-12-24 — — CN claimed
CN-115152051-A Electrode for energy storage device 快帽系统公司 2022-10-04 — — CN disclosed
CN-114514012-A External preparation for skin 株式会社高丝 2022-05-17 — — CN disclosed
CN-113301965-A Hair care system, hair care method and use of hair care system 欧莱雅 2021-08-24 — — CN disclosed
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