SCHEMBL5055232

SCHEMBL5055232

NC(=O)C=CC(=O)NCCO

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
CNR2 P34972 1/20 0.37
HTT P42858 2/20 0.36
DDAH1 O94760 1/20 0.36
TAAR1 Q96RJ0 3/20 0.35
ITGB2 P05107 2/20 0.35
ICAM1 P05362 2/20 0.35
ITGAL P20701 2/20 0.35
PYGL P06737 1/20 0.33
LMNA P02545 1/20 0.33
MCL1 Q07820 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL5175940 1.00 ALDH1A1 (0.38) ALDH1A1MAPTKMT2AMEN1USP2
SCHEMBL5028645 1.00 ALDH1A1 (0.38) ALDH1A1MAPTKMT2AMEN1USP2
SCHEMBL679131 0.88 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMEN1USP2
SCHEMBL11306763 0.88 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMEN1USP2
SCHEMBL679130 0.88 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMEN1USP2
SCHEMBL9570820 0.87 CNR2 (0.45) ALDH1A1MAPTKMT2AMEN1USP2
SCHEMBL9570817 0.87 CNR2 (0.45) ALDH1A1MAPTKMT2AMEN1USP2
SCHEMBL5031180 0.82 ALDH1A1 (0.36) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL5053873 0.82 ALDH1A1 (0.36) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL9249780 0.81 ALDH1A1 (0.38) ALDH1A1MAPTHTTDDAH1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902310-B2 Use as additives for inorganic binding agent suspensions based on cement, lime, gypsum and anhydrite; improve processing and setting processes of building materials produced with these additives by making possible earlier and higher resistances to pressure CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2011-03-08 US disclosed
US-20080125520-A1 Copolymers Base on Phosphorous-Containing Monomers, Methods for the Production Thereof and Their Use CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2008-05-29 US disclosed
EP-0550008-A2 Use of N-acyl derivatives of aminoalcohols with polycarboxylic acids for the manufacture of a medicament for the treatment of pathologies relating to mast cells LIFEGROUP S.p.A. (IT) 1993-07-07 EP disclosed