SCHEMBL30722280

SCHEMBL30722280

CCOC(=O)C[C@H](N)C(=O)OCC.CCOC(=O)C[C@H](N)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
ALDH1A1 P00352 7/20 0.44
ALOX15 P16050 3/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
TRPA1 O75762 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.43
HSD17B10 Q99714 2/20 0.43
CHRM1 P11229 1/20 0.43
ADORA1 P30542 1/20 0.43
CYP2D6 P10635 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
SOAT1 P35610 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
SCHEMBL2617390 1.00 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1172846 1.00 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1172849 1.00 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL29401282 0.98 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL3024514 0.98 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL3024512 0.98 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL7644080 0.98 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
Potassium SCHEMBL7644087 0.98 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL30865523 0.96 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
Ether SCHEMBL27515108 0.94 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1

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-114736641-B Asparagus polyurea color sand joint beautifying agent and preparation method thereof 深圳飞扬骏研新材料股份有限公司 2024-02-27 CN disclosed