SCHEMBL7362612

SCHEMBL7362612

CC(=O)CC(=O)OCC(C)Cl

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.46
GAA P10253 2/20 0.46
SI P14410 2/20 0.46
MGAM2 Q2M2H8 2/20 0.46
TSHR P16473 2/20 0.33
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 3/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
PRKCA P17252 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
SCHEMBL30059382 0.82 TSHR (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL2705261 0.82 MGAM (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL472554 0.82 TSHR (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL27268424 0.81 MGAM (0.44) MGAMGAASIMGAM2TDP1
SCHEMBL16411295 0.80 MAPT (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL17962546 0.80
SCHEMBL27551575 0.80 TSHR (0.48) MGAMGAASIMGAM2TSHR
SCHEMBL21955400 0.79 MGAM (0.52) MGAMGAASIMGAM2TSHR
SCHEMBL27711401 0.79 MGAM (0.43) MGAMGAASIMGAM2
SCHEMBL28755012 0.78 MGAM (0.46) MGAMGAASIMGAM2TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4472411-A 1,4-Dihydropyridine derivatives and use as vasodilators TAISHO PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
EP-0092936-A1 1,4-Dihydropyridine derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1983-11-02 EP disclosed