SCHEMBL9562696

SCHEMBL9562696

C=C(C)C#N.C=C(C)C(=O)OCC

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.64
TSHR P16473 4/20 0.64
THRB P10828 1/20 0.52
TDP1 Q9NUW8 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GLO1 Q04760 1/20 0.41
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
Cyanate SCHEMBL28247590 0.89 ALDH1A1 (0.61) ALDH1A1TSHRTHRBCYP2C9MAPT
Water SCHEMBL29213737 0.89
Hydroxyamine SCHEMBL29435122 0.87 THRB (0.59) ALDH1A1TSHRTHRBTDP1MAPT
SCHEMBL19409375 0.87 THRB (0.64) ALDH1A1TSHRTHRBMAPTLMNA
SCHEMBL15030 0.87
SCHEMBL2412075 0.86 ALDH1A1 (0.88) ALDH1A1TSHRTHRBTDP1CYP2C9
SCHEMBL28088465 0.85 THRB (0.57) ALDH1A1TSHRTHRBCYP2C9MAPT
Cyanide SCHEMBL29227289 0.85 THRB (0.57) ALDH1A1TSHRTHRBCYP2C9MAPT
Acetone SCHEMBL11325819 0.84 THRB (0.61) ALDH1A1TSHRTHRBMAPTLMNA
Hydrochloric Acid SCHEMBL675826 0.84

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
US-5250361-A Containing copolymer of (meth)acrylonitrile and acrylated ester RICOH COMPANY LTD. (JP) 1993-10-05 US disclosed