SCHEMBL1628096

SCHEMBL1628096

CC=CC(=O)NCCC[N+](C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.42
ACHE P22303 2/20 0.41
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CBLB Q13191 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
ZDHHC20 Q5W0Z9 2/20 0.36
MAPT P10636 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
BBOX1 O75936 1/20 0.34
EGFR P00533 1/20 0.34
LMNA P02545 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
SCHEMBL25544701 1.00 APEX1 (0.42) APEX1ACHEKMT2AATMSMN1; SMN2
Hydrochloric Acid SCHEMBL233973 0.98 APEX1 (0.41) APEX1ACHEKMT2AATMSMN1; SMN2
Sulfuric Acid SCHEMBL25230184 0.93 APEX1 (0.42) APEX1ACHEKMT2AATMSMN1; SMN2
SCHEMBL20530938 0.88 ACHE (0.50) APEX1ACHEKMT2AATMSMN1; SMN2
Hydrochloric Acid SCHEMBL8777430 0.86 ACHE (0.49) APEX1ACHEKMT2AATMSMN1; SMN2
Trifluoromethanesulfonic Acid SCHEMBL25407679 0.86 APEX1 (0.38) APEX1ACHEKMT2AATMSMN1; SMN2
SCHEMBL21610956 0.83 APEX1 (0.49) APEX1KMT2ASMN1; SMN2ALDH1A1TAAR1
SCHEMBL19971710 0.83 APEX1 (0.37) APEX1ACHEKMT2AATMSMN1; SMN2
Hydrochloric Acid SCHEMBL11054825 0.82 KMT2A (0.42) APEX1KMT2AATMSMN1; SMN2ALDH1A1
SCHEMBL19971715 0.82 APEX1 (0.39) APEX1ACHEKMT2AATMSMN1; SMN2

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 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3897955-B1 HYDROXYETHYL CELLULOSE MICROCAPSULES INT FLAVORS & FRAGRANCES INC (US) 2024-02-07 EP claimed
US-20220178797-A1 POLYCATIONIC QUATERNARY AMMONIUM POLYMER COATINGS FOR IMMOBILIZING BIOLOGICAL SAMPLES TRIPATH IMAGING, INC. 2022-06-09 US claimed
EP-2916876-B1 METHODS AND COMPOSITIONS FOR WOUND HEALING IMBED BIOSCIENCES INC (US) 2021-10-20 EP claimed
CN-113453654-A Microcapsule composition 国际香料和香精公司 2021-09-28 CN claimed
CN-113453653-A Microcapsule composition prepared from polysaccharide 国际香料和香精公司 2021-09-28 CN claimed
CN-113453655-A Guar gum microcapsule 国际香料和香精公司 2021-09-28 CN claimed
CN-113453656-A Microcapsules prepared from proteins 国际香料和香精公司 2021-09-28 CN claimed
EP-2720668-B1 COSMETIC USE OF A FLOCCULANT POLYMER AS ANTIPERSPIRANT OREAL (FR) 2020-05-06 EP claimed
EP-3344358-B1 POLYMERIC MICROPARTICLES AS FILTRATION AND/OR CLARIFYING AIDS IN PHOSPHORIC ACID PRODUCTION CYTEC IND INC (US) 2020-03-18 EP claimed
EP-2909168-B1 ACRYLAMIDE-BASED CROSSLINKING MONOMERS, THEIR PREPARATION, AND USES THEREOF SALTWORKS TECH INC (CA) 2018-05-09 EP claimed
WO-2006031946-A1 FABRIC CARE COMPOSITIONS COMPRISING POLYOL BASED FABRIC CARE MATERIALS AND DEPOSITION AGENTS THE PROCTER & GAMBLE COMPANY (US) 2006-03-23 WO claimed
US-20060058214-A1 Fabric care compositions comprising polyol based fabric care materials and deposition agents PROCTER & GAMBLE COMPANY, THE 2006-03-16 US claimed
EP-0841060-B1 Hair-care composition for fixing the hair WELLA AG (DE) 2002-04-24 EP claimed
EP-0706399-A4 COMPOSITIONS AND PROCESS FOR REMOVING BILE SALTS GELTEX PHARMA INC (US) 1998-08-12 EP claimed
EP-0706399-A1 COMPOSITIONS AND PROCESS FOR REMOVING BILE SALTS GELTEX PHARMACEUTICALS, INC. (US) 1996-04-17 EP claimed
EP-0339372-B1 Method and composition for thickening or stabilizing aqueous media with polyamphoteric polysaccharides NAT STARCH CHEM INVEST (US) 1996-01-31 EP claimed
WO-1994027620-A1 COMPOSITIONS AND PROCESS FOR REMOVING BILE SALTS GELTEX PHARMACEUTICALS, INC. (US) 1994-12-08 WO claimed
EP-0190834-B1 Improved hair waving and straightening compositions of matter CHESEBROUGH PONDS (US) 1994-10-05 EP claimed
EP-0247774-B1 CATIONIC MONOMER DELAYED ADDITION PROCESS EXXON CHEMICAL PATENTS INC. (US) 1991-04-17 EP claimed
EP-0049766-B1 HIGH CONCENTRATION WATER SOLUBLE POLYMERS AS WATER-IN-OIL EMULSIONS AMERICAN CYANAMID COMPANY (US) 1985-03-27 EP claimed