SCHEMBL27889490

SCHEMBL27889490

CCOC(=O)C(C)=C(C)C#N

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
TSHR P16473 1/20 0.55
CYP2C9 P11712 1/20 0.47
KDM4E B2RXH2 5/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GLO1 Q04760 1/20 0.42
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTP4A1 Q93096 1/20 0.37
MIF P14174 1/20 0.37

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
SCHEMBL9978312 0.83 ALDH1A1 (0.55) ALDH1A1TSHRCYP2C9KDM4EMAPT
SCHEMBL15055595 0.81 ALDH1A1 (0.53) ALDH1A1TSHRCYP2C9KDM4EMAPT
SCHEMBL14019201 0.81 ALDH1A1 (0.53) ALDH1A1TSHRCYP2C9KDM4EMAPT
SCHEMBL5611940 0.78 ALDH1A1 (0.58) ALDH1A1TSHRCYP2C9MAPTMEN1
SCHEMBL11141816 0.78 ALDH1A1 (0.58) ALDH1A1TSHRCYP2C9MAPTMEN1
SCHEMBL5611950 0.78 ALDH1A1 (0.58) ALDH1A1TSHRCYP2C9MAPTMEN1
Potassium Ion SCHEMBL4042855 0.78 ALDH1A1 (0.50) ALDH1A1TSHRCYP2C9KDM4EMAPT
Potassium Ion SCHEMBL4042857 0.78 ALDH1A1 (0.50) ALDH1A1TSHRCYP2C9KDM4EMAPT
SCHEMBL124207 0.75 ALDH1A1 (0.47) ALDH1A1TSHRCYP2C9KDM4EMAPT
SCHEMBL2115865 0.75 ALDH1A1 (0.61) ALDH1A1TSHRCYP2C9KDM4EMAPT

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
CN-102687074-A Lithographic printing plate precursors EASTMAN KODAK CO 2012-09-19 CN disclosed