SCHEMBL9720815

SCHEMBL9720815

CCOC(=O)NC=C(C)C(=O)OCC(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
ALDH1A1 P00352 6/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CYP2D6 P10635 2/20 0.37
GPR35 Q9HC97 1/20 0.35
MMP8 P22894 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
GLO1 Q04760 1/20 0.33
LMNA P02545 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 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
SCHEMBL8928230 0.86 GLO1 (0.44) ALDH1A1SMN1; SMN2CYP2D6CYP2C19HSD17B10
SCHEMBL1131221 0.81 GLO1 (0.38) ALDH1A1SMN1; SMN2CYP2D6CYP2C19HSD17B10
SCHEMBL15146072 0.81 GLO1 (0.38) ALDH1A1SMN1; SMN2CYP2D6CYP2C19HSD17B10
SCHEMBL11677604 0.80 GLO1 (0.35) TSHRALDH1A1SMN1; SMN2CYP2D6CYP2C19
SCHEMBL4858646 0.79 ACHE (0.38) TSHRALDH1A1SMN1; SMN2CYP2D6CYP2C19
SCHEMBL29153931 0.78 GLO1 (0.36) ALDH1A1SMN1; SMN2CYP2D6CYP2C19HSD17B10
SCHEMBL16968081 0.78 GLO1 (0.36) ALDH1A1SMN1; SMN2CYP2D6GPR35CYP2C19
SCHEMBL5859498 0.77 ALDH1A1 (0.44) TSHRALDH1A1SMN1; SMN2CYP2C19MAPT
SCHEMBL2059968 0.77 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2CYP2D6HSD17B10MAPT
SCHEMBL27935543 0.77 GLO1 (0.35) ALDH1A1SMN1; SMN2CYP2D6CYP2C19HSD17B10

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-5126392-A Color deepening with emulsion-polymerized resin and cationic protective colloid KAO CORPORATION (JP) 1992-06-30 US disclosed