SCHEMBL387760

SCHEMBL387760

CC(=O)N/C(=C\c1ccccc1)C(=O)O.[Zn]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.55
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
RECQL P46063 1/20 0.47
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
HTT P42858 1/20 0.46
GLA P06280 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
AKR1C1 Q04828 1/20 0.44
RAB9A P51151 3/20 0.44

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
SCHEMBL786716 0.98 AKR1C3 (0.57) AKR1C3ALDH1A1TSHRMEN1KMT2A
SCHEMBL388143 0.98 AKR1C3 (0.57) AKR1C3ALDH1A1TSHRMEN1KMT2A
SCHEMBL388142 0.98 AKR1C3 (0.57) AKR1C3ALDH1A1TSHRMEN1KMT2A
Methyl Alcohol SCHEMBL8740650 0.96 AKR1C3 (0.55) AKR1C3ALDH1A1TSHRMEN1KMT2A
SCHEMBL15085946 0.88 TP53 (0.56) AKR1C3ALDH1A1TSHRMEN1KMT2A
SCHEMBL5498513 0.87 MEN1 (0.46) AKR1C3ALDH1A1TSHRMEN1KMT2A
SCHEMBL12561790 0.87 RECQL (0.53) AKR1C3ALDH1A1TSHRMEN1KMT2A
SCHEMBL10739481 0.84 ALDH1A1 (0.52) AKR1C3ALDH1A1TSHRMEN1KMT2A
SCHEMBL10739476 0.84 ALDH1A1 (0.52) AKR1C3ALDH1A1TSHRMEN1KMT2A
SCHEMBL27415288 0.84 RAB9A (0.50) AKR1C3ALDH1A1TSHRMEN1KMT2A

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
EP-1828296-B1 COATING COMPOSITIONS FOR MARKING SUBSTRATES DATALASE LTD (GB) 2015-07-08 EP disclosed
US-8101544-B2 Mixture of color former, acid salt, binder and solvent ; marking substrate DATALASE LTD. (GB) 2012-01-24 US disclosed
US-20080207444-A1 Coating Compositions for Marking Substrates CIBA CORPORATION 2008-08-28 US disclosed
EP-1828296-A1 COATING COMPOSITIONS FOR MARKING SUBSTRATES CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-09-05 EP disclosed
WO-2006067073-A1 COATING COMPOSITIONS FOR MARKING SUBSTRATES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-06-29 WO disclosed