SCHEMBL8976922

SCHEMBL8976922

C=CC(=O)NC(CC)(CN)NC(=O)C=C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 3/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL2768943 0.80 ALDH1A1 (0.38) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
Hydrochloric Acid SCHEMBL11063305 0.78 ALDH1A1 (0.37) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL3319888 0.75 ALDH1A1 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL9766460 0.75 ALDH1A1 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL28463937 0.75 ALDH1A1 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL2770265 0.75 ALDH1A1 (0.51) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL28005175 0.74 ALDH1A1 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL8766001 0.74 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL9215742 0.73 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL8772020 0.73 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR

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
EP-3569683-B1 LIQUID ACIDIC HARD SURFACE CLEANING COMPOSITIONS PROVIDING IMPROVED MAINTENANCE OF SURFACE SHINE, AND PREVENTION OF WATER MARKS AND SPLASH MARKS PROCTER & GAMBLE (US) 2020-10-14 EP claimed
EP-0580529-B1 Process for making paper or cardboard having improved retention S N F (FR) 1996-04-17 EP claimed
EP-0580529-A1 Process for making paper or cardboard having improved retention S. N. F. (FR) 1994-01-26 EP claimed