Cetrimonium

Cetrimonium

SCHEMBL28101522

CCCCCCCCCCCCCCCC[N+](C)(C)C.N.O=C1NS(=O)(=O)c2ccccc21

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.58
CA9 Q16790 5/20 0.58
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
KDM4E B2RXH2 1/20 0.58
USP2 O75604 1/20 0.58
LMNA P02545 1/20 0.58
BCHE P06276 1/20 0.58
CA4 P22748 1/20 0.58
CA6 P23280 1/20 0.58
CA5A P35218 1/20 0.58
CA7 P43166 1/20 0.58
KMT2A Q03164 1/20 0.58
CA14 Q9ULX7 1/20 0.58
CA5B Q9Y2D0 1/20 0.58
ALDH1A1 P00352 2/20 0.44
DNM1 Q05193 7/20 0.40
APAF1 O14727 1/20 0.38
HSP90AA1 P07900 1/20 0.38
RAD52 P43351 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
Cetrimonium SCHEMBL196676 0.99 CA12 (0.59) CA12CA9CA1CA2KDM4E
Saccharin SCHEMBL196947 0.99 CA12 (0.59) CA12CA9CA1CA2KDM4E
Cetrimonium SCHEMBL28582109 0.97 CA12 (0.58) CA12CA9CA1CA2KDM4E
Didecyldimethylammonium SCHEMBL28160713 0.91 KMT2A (0.59) CA12CA9CA1CA2KDM4E
Tetrabuthylammonium SCHEMBL27547504 0.86 CA12 (0.65) CA12CA9CA1CA2KDM4E
Cetalkonium SCHEMBL28274356 0.84 DNM1 (0.60) CA12CA9CA1CA2KDM4E
Miristalkonium Ion SCHEMBL27923387 0.84 DNM1 (0.60) CA12CA9CA1CA2KDM4E
Saccharin SCHEMBL27971089 0.81 CA12 (0.65) CA12CA9CA1CA2KDM4E
Myristic Acid SCHEMBL28407758 0.80 KMT2A (0.59) CA12CA9CA1CA2KDM4E
Saccharin SCHEMBL28160227 0.80 CA12 (0.59) CA12CA9CA1CA2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106029050-B Hair cosmetics composition and its application method 朋友株式会社 2019-06-18 CN disclosed
CN-108883049-A Superfatting agent and personal care composition 萨博公司 2018-11-23 CN disclosed
CN-106821790-A Hair cosmetics composition 朋友株式会社 2017-06-13 CN disclosed
CN-106619184-A Hair cosmetic composition 朋友株式会社 2017-05-10 CN disclosed
CN-106389151-A Hair dye composition 朋友株式会社 2017-02-15 CN disclosed
CN-106163493-A Hair cosmetic composition 朋友株式会社 2016-11-23 CN disclosed
CN-106029050-A Hair cosmetic composition and method for using same 朋友株式会社 2016-10-12 CN disclosed