SCHEMBL2203945

SCHEMBL2203945

C=CC(=O)NOC(=O)CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
MIF P14174 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
CA2 P00918 1/20 0.31
PRKCA P17252 1/20 0.30
ACACB O00763 1/20 0.30

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
SCHEMBL29271178 0.78 TSHR (0.33) TSHRTDP1ALDH1A1MAPK1
SCHEMBL836331 0.78 ALDH1A1 (0.44) TSHRTDP1ALDH1A1MAPK1ZDHHC20
SCHEMBL27987492 0.76 KDM4C (0.42) TSHRTDP1ALDH1A1ZDHHC20ZDHHC2
SCHEMBL13275793 0.76 MGAM (0.44) TSHRTDP1ALDH1A1MAPK1ZDHHC20
SCHEMBL27932093 0.75 TSHR (0.48) TSHRTDP1ALDH1A1MAPK1ZDHHC20
SCHEMBL28217419 0.75 TSHR (0.41) TSHRTDP1ALDH1A1MAPK1ZDHHC20
SCHEMBL11135735 0.75 TSHR (0.41) TSHRTDP1ALDH1A1MAPK1ZDHHC20
SCHEMBL10590343 0.74 TSHR (0.37) TSHRTDP1ALDH1A1MAPK1ZDHHC20
Methoxymethane SCHEMBL10590346 0.74 TSHR (0.37) TSHRTDP1ALDH1A1MAPK1ZDHHC20
SCHEMBL28083015 0.74 MGAM (0.38) TSHRTDP1ALDH1A1MAPK1ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110603244-B Hydrated crystalline forms of 2-acrylamido-2-methylpropanesulfonic acid 爱森(中国)絮凝剂有限公司 2022-03-08 CN disclosed
US-20200354655-A1 SELF-INVERTIBLE INVERSE LATEX COMPRISING ALKYL POLYGLYCOSIDES AS AN INVERTING AGENT AND USE THEREOF AS A THICKENING AGENT FOR A DETERGENT OR CLEANING FORMULATION FOR INDUSTRIAL OR DOMESTIC USE SOCIETE D'EXPLOITATION DE PRODUITS POUR LES INDUSTRIES CHIMIQUES SEPPIC (FR) 2020-11-12 US disclosed
CN-110603244-A Hydrated crystalline forms of 2-acrylamido-2-methylpropanesulfonic acid 爱森(中国)絮凝剂有限公司 2019-12-20 CN disclosed
EP-2344517-A1 TEMPERATURE-RESPONSIVE POLYMER PARTICLES IN PROTEIN SEPARATION APPLICATIONS Commonwealth Scientific and Industrial Research Organisation (AU) 2011-07-20 EP disclosed
WO-2010031144-A1 TEMPERATURE-RESPONSIVE POLYMER PARTICLES IN PROTEIN SEPARATION APPLICATIONS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2010-03-25 WO disclosed