SCHEMBL4600830

SCHEMBL4600830

N#C/C(=C/c1ccc(/C=C(/C#N)C(=O)O)cc1)C(=O)O

nearest known ligand 0.85

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.85
CISD1 Q9NZ45 1/20 0.85
KDM4E B2RXH2 1/20 0.85
SLC16A3 O15427 1/20 0.85
ALDH1A1 P00352 1/20 0.85
CYP3A4 P08684 1/20 0.85
HPGD P15428 1/20 0.85
SLC16A1 P53985 1/20 0.85
GPR35 Q9HC97 1/20 0.85

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
SCHEMBL4600832 1.00 EGFR (0.85) EGFRCISD1KDM4ESLC16A3ALDH1A1
SCHEMBL10413058 1.00 EGFR (0.85) EGFRCISD1KDM4ESLC16A3ALDH1A1
Alpha-Cyano-4-Hydroxycinnamic Acid SCHEMBL28529867 0.92 KDM4E (1.00) EGFRCISD1KDM4ESLC16A3ALDH1A1
Alpha-Cyano-4-Hydroxycinnamic Acid SCHEMBL26825 0.92 KDM4E (1.00) EGFRCISD1KDM4ESLC16A3ALDH1A1
SCHEMBL8749181 0.92 EGFR (1.00) EGFRCISD1KDM4ESLC16A3ALDH1A1
Alpha-Cyano-4-Hydroxycinnamic Acid SCHEMBL26826 0.92 KDM4E (1.00) EGFRCISD1KDM4ESLC16A3ALDH1A1
Alpha-Cyano-4-Hydroxycinnamic Acid SCHEMBL437568 0.92 KDM4E (1.00) EGFRCISD1KDM4ESLC16A3ALDH1A1
SCHEMBL305982 0.91 KDM4E (0.72) EGFRCISD1KDM4ESLC16A3ALDH1A1
SCHEMBL3009380 0.91 KDM4E (0.72) EGFRCISD1KDM4ESLC16A3ALDH1A1
SCHEMBL305983 0.91 KDM4E (0.72) EGFRCISD1KDM4ESLC16A3ALDH1A1

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-2242774-B2 SELF-REPAIRING COMPOSITION, SELF-REPAIRING MATERIALS, SELF-REPAIRING METHODS AND APPLICATIONS CATALYSE (FR) 2018-09-26 EP claimed
EP-2242774-B1 SELF-REPAIRING COMPOSITION, SELF-REPAIRING MATERIALS, SELF-REPAIRING METHODS AND APPLICATIONS CATALYSE (FR) 2013-01-09 EP claimed
EP-2242774-B2 SELF-REPAIRING COMPOSITION, SELF-REPAIRING MATERIALS, SELF-REPAIRING METHODS AND APPLICATIONS CATALYSE (FR) 2018-09-26 EP disclosed
EP-2242774-B1 SELF-REPAIRING COMPOSITION, SELF-REPAIRING MATERIALS, SELF-REPAIRING METHODS AND APPLICATIONS CATALYSE (FR) 2013-01-09 EP disclosed
EP-1569989-B1 SURFACE TREATMENT METHOD BY PHOTOPOLYMERIZATION TO OBTAIN BIOCIDAL PROPERTIES DESARROLLO DEL GRAFTING S L (ES) 2008-04-16 EP disclosed