SCHEMBL11228703

SCHEMBL11228703

CCOC(=S)C(C(C)=O)C(=S)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GLO1 Q04760 1/20 0.40
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
GAA P10253 3/20 0.39
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
CYP2D6 P10635 1/20 0.38
HPGD P15428 2/20 0.37
MAPT P10636 2/20 0.36
TRPA1 O75762 1/20 0.36
KDM4E B2RXH2 1/20 0.34
HTT P42858 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
SCHEMBL11063754 0.79 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10GLO1CA12
SCHEMBL11068041 0.79 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10GLO1CA12
SCHEMBL11016179 0.77 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10GLO1CA12
SCHEMBL26302 0.77 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10GLO1GAA
SCHEMBL123766 0.77 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10GLO1GAA
SCHEMBL8172575 0.76 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10GLO1CA12
SCHEMBL28190143 0.75 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10GLO1GAA
SCHEMBL29866763 0.73 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10GLO1GAA
SCHEMBL28266492 0.73 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10GLO1GAA
SCHEMBL8356665 0.71 ALDH1A1 (0.49) ALDH1A1LMNAHSD17B10CA12CA1

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
US-4358606-A Esters of phenalkyloxycarbonylamino acids ZOECON CORPORATION (US) 1982-11-09 US disclosed