SCHEMBL9364972

SCHEMBL9364972

CCOC(=O)C(C)C(=O)CC(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.44
GAA P10253 2/20 0.44
SI P14410 2/20 0.44
MGAM2 Q2M2H8 2/20 0.44
ALDH1A1 P00352 7/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TRPA1 O75762 1/20 0.37
HSD17B10 Q99714 3/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 3/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
SOAT1 P35610 1/20 0.34
POLA1 P09884 1/20 0.34
CHRM1 P11229 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL17117349 0.89 GAA (0.58) MGAMGAASIMGAM2ALDH1A1
SCHEMBL391323 0.89 GAA (0.58) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5143415 0.85 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL17109652 0.81 ALDH1A1 (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL907536 0.81 ALDH1A1 (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28756042 0.81 ALDH1A1 (0.42) MGAMGAASIMGAM2ALDH1A1
SCHEMBL19030810 0.78 MGAM (0.42) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1148993 0.78 SOAT1 (0.46) MGAMGAASIMGAM2ALDH1A1
Ammonia Solution, Strong SCHEMBL11065656 0.78 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4658427 0.78 MGAM (0.46) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0229384-B1 Beta-lactam compounds and their production SUMITOMO PHARMA (JP) 1994-08-10 EP disclosed
US-5134231-A Chemical intermediates for 1-alkylcarbapenem compounds SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1992-07-28 US disclosed
EP-0229384-A2 Beta-lactam compounds and their production SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1987-07-22 EP disclosed