SCHEMBL22893334

SCHEMBL22893334

CC(=O)/C(C#N)=C(C)\C(N)=C(/C)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MAPK10 P53779 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
TP53 P04637 1/20 0.31
DHODH Q02127 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
GABRA1 P14867 3/20 0.30
GABRG2 P18507 3/20 0.30
GABRB3 P28472 3/20 0.30
GABRB2 P47870 2/20 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
SCHEMBL12700930 0.76
SCHEMBL7180208 0.72
SCHEMBL7180210 0.72
SCHEMBL27708404 0.70 MAPK10 (0.44) ALDH1A1MAPK10MAPTHPGDSMN1; SMN2
SCHEMBL17123007 0.68
SCHEMBL3813766 0.67
SCHEMBL30298582 0.67 CA4 (0.43) TDP1GABRA1GABRG2GABRB3GABRB2
SCHEMBL3813770 0.67
SCHEMBL23046906 0.67
SCHEMBL18675324 0.67 ALDH1A1 (0.42) ALDH1A1MAPK10MAPTHPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3327488-B1 OPTICAL ARTICLE COMPRISING A DYE RESISTANT TO PHOTO-DEGRADATION ESSILOR INT (FR) 2021-01-06 EP disclosed