SCHEMBL28363537

SCHEMBL28363537

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

nearest known ligand 0.46

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 0.46
▸ CES1 P23141 10/20 0.46
▸ CES2 O00748 5/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CA12 O43570 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ GPR84 Q9NQS5 2/20 0.38
▸ PPARG P37231 2/20 0.38
▸ PPARD Q03181 2/20 0.38
▸ PPARA Q07869 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SLC22A6 Q4U2R8 1/20 0.38
▸ SLC22A8 Q8TCC7 1/20 0.38

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
SCHEMBL15758444 0.91 FAAH (0.54) FAAHCES1MEN1CYP1A2KMT2A
SCHEMBL19409848 0.86 FAAH (0.42) FAAHCES1CES2MEN1CYP1A2
SCHEMBL28646473 0.86 FAAH (0.42) FAAHCES1CES2MEN1CYP1A2
SCHEMBL28518782 0.86 FAAH (0.59) FAAHCES1CES2MEN1CYP1A2
SCHEMBL15189915 0.86 FAAH (0.59) FAAHCES1CES2MEN1CYP1A2
SCHEMBL28336601 0.84 FAAH (0.43) FAAHCES1CES2MEN1CYP1A2
Hydrochloric Acid SCHEMBL341117 0.82 FAAH (0.55) FAAHCES1CES2MEN1CYP1A2
SCHEMBL28523113 0.81 FAAH (0.41) FAAHCES1CES2MEN1CYP1A2
SCHEMBL28388477 0.81 FAAH (0.43) FAAHCES1CES2MEN1CYP1A2
SCHEMBL935409 0.81 DGKA (0.43) CES1CES2CA12CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114599334-A Stable low pH personal care compositions and methods therefor 高露洁-棕榄公司 2022-06-07 — — CN claimed
CN-118973549-A Compositions suitable for high oil content 莱雅公司 2024-11-15 — — CN disclosed
CN-116600778-A Composition comprising a specific oxidation dyeing base, at least one guar gum and at least one fatty substance 莱雅公司 2023-08-15 — — CN disclosed
CN-116568271-A Composition comprising a specific oxidation dyeing base, at least one specific coupler and at least one fatty substance 莱雅公司 2023-08-08 — — CN disclosed
CN-115243663-A Composition for caring for keratin materials and use thereof 莱雅公司 2022-10-25 — — CN disclosed
CN-114828814-A Composition for conditioning keratin materials 莱雅公司 2022-07-29 — — CN disclosed
CN-111825785-A Emulsion polymers, emulsion processes and polymer compositions comprising one or more 1, 1-disubstituted alkene compounds 赛鲁斯股份有限公司 2020-10-27 — — CN disclosed
CN-107075223-B Emulsion polymers, emulsion processes and polymer compositions comprising one or more 1, 1-disubstituted alkene compounds 赛鲁斯股份有限公司 2020-08-04 — — CN disclosed
CN-106414691-B Fabric softener compositions 罗地亚经营管理公司 2020-03-10 — — CN disclosed
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