SCHEMBL7601776

SCHEMBL7601776

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.38
MAPT P10636 1/20 0.38
CAD P27708 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.37
TYR P14679 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL28870475 0.85 TYR (0.42) MGAMGAASIMGAM2ALDH1A1
SCHEMBL17011234 0.85 TYR (0.42) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5812119 0.85 ALDH1A1 (0.42) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5812114 0.85 ALDH1A1 (0.42) MGAMGAASIMGAM2ALDH1A1
SCHEMBL23052374 0.83 BIRC2 (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL19323020 0.83 CYP2C9 (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL25144944 0.83 MAPT (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL14519903 0.83 BIRC2 (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL15786178 0.83 HTT (0.52) MGAMGAASIMGAM2ALDH1A1
SCHEMBL19323524 0.83 CYP2C9 (0.41) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1266900-A1 Carbamates of rapamycin Wyeth (US) 2002-12-18 EP disclosed
US-5411967-A Antiinflammatory, immunosuppressant, antitumor AMERICAN HOME PRODUCTS CORPORATION (US) 1995-05-02 US disclosed
EP-0593227-A1 Carbamates of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1994-04-20 EP disclosed
US-5302584-A Immunosuppressants AMERICAN HOME PRODUCTS CORPORATION (US) 1994-04-12 US disclosed