SCHEMBL21295904

SCHEMBL21295904

C=C(CCNC(=O)CC(C)=O)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
TSHR P16473 1/20 0.35
ECE1 P42892 1/20 0.33
TET2 Q6N021 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31

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
SCHEMBL4596397 0.81 ECE1 (0.39) ALDH1A1ECE1TET2EGLN1
SCHEMBL14902247 0.76 MGAM (0.52) ALDH1A1MGAMGAASIMGAM2
SCHEMBL6130519 0.76 ALDH1A1 (0.50) ALDH1A1MGAMGAASIMGAM2
SCHEMBL7037261 0.75 ALDH1A1 (0.55) ALDH1A1MGAMGAASIMGAM2
SCHEMBL11603931 0.75 ALDH1A1 (0.52) ALDH1A1MGAMGAASIMGAM2
Hydrochloric Acid SCHEMBL28502808 0.73 ALDH1A1 (0.34) ALDH1A1
SCHEMBL4453310 0.72 MEN1 (0.43) ALDH1A1MGAMGAASIMGAM2
SCHEMBL19752761 0.71 TDP1 (0.49) ALDH1A1GAA
SCHEMBL2561173 0.71 ECE1 (0.61) TSHRECE1EGLN1
SCHEMBL7643021 0.71 ALDH1A1 (0.39) ALDH1A1GAATSHRTET2

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
WO-2019163833-A1 COATING METHOD FOR CATIONIC ELECTRODEPOSITION COATING MATERIAL 関西ペイント株式会社 2019-08-29 WO disclosed