SCHEMBL10959786

SCHEMBL10959786

CC(C)COC(=O)/C(C#N)=C/NCc1ccco1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 13/20 0.46
MAPT P10636 7/20 0.46
HPGD P15428 2/20 0.46
USP2 O75604 1/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 1/20 0.45
TP53 P04637 1/20 0.44
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.42
KDM4E B2RXH2 3/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL10959791 1.00 POLB (0.46) POLBTDP1ALDH1A1MAPTHPGD
SCHEMBL10987163 0.90 POLB (0.46) POLBTDP1ALDH1A1MAPTHPGD
SCHEMBL10957053 0.80 POLB (0.45) POLBTDP1ALDH1A1MAPTHPGD
SCHEMBL10957054 0.80 POLB (0.45) POLBTDP1ALDH1A1MAPTHPGD
SCHEMBL10959821 0.76 ALDH1A1 (0.52) TDP1ALDH1A1MAPTHPGDMEN1
SCHEMBL10959826 0.76 ALDH1A1 (0.52) TDP1ALDH1A1MAPTHPGDMEN1
SCHEMBL22306362 0.72 LMNA (0.43) POLBTDP1ALDH1A1MAPTHPGD
SCHEMBL7743875 0.70 ALDH1A1 (0.50) POLBTDP1ALDH1A1MAPTUSP2
SCHEMBL7547845 0.70 ALDH1A1 (0.50) POLBTDP1ALDH1A1MAPTUSP2
SCHEMBL7542795 0.70 ALDH1A1 (0.61) POLBTDP1ALDH1A1MAPTHPGD

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-0088545-B1 FUNGICIDAL CYANOPROPENOATES AND COMPOSITIONS CONTAINING THEM FBC LIMITED (GB) 1985-12-11 EP disclosed
US-4508659-A 2-Cyano-3-benzylamino-2-propenoates, useful as fungicides FBC LIMITED (GB) 1985-04-02 US disclosed
EP-0088545-A1 Fungicidal cyanopropenoates and compositions containing them FBC LIMITED (GB) 1983-09-14 EP disclosed