SCHEMBL27778239

SCHEMBL27778239

CCOC(=S)C(CS)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
CYP2D6 P10635 1/20 0.38
CPB2 Q96IY4 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
ALOX15 P16050 2/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
ENPEP Q07075 2/20 0.34
PTGS1 P23219 1/20 0.33
SLC7A11 Q9UPY5 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL21046014 0.88 CPB2 (0.40) ALDH1A1CYP2D6CPB2LMNAHSD17B10
SCHEMBL28438533 0.75 ALDH1A1 (0.38) ALDH1A1CYP2D6LMNAHSD17B10CA12
SCHEMBL7755034 0.75 ALDH1A1 (0.46) ALDH1A1CPB2LMNAHSD17B10ALOX15
SCHEMBL8330635 0.75 ALDH1A1 (0.39) ALDH1A1CYP2D6LMNAHSD17B10CA12
SCHEMBL9416688 0.74 ALDH1A1 (0.41) ALDH1A1CYP2D6LMNAHSD17B10CA12
SCHEMBL11016179 0.72 ALDH1A1 (0.42) ALDH1A1CYP2D6LMNAHSD17B10CA12
SCHEMBL8329853 0.70 CTSK (0.37) ALDH1A1LMNATHRB
SCHEMBL736374 0.68 ALDH1A1 (0.39) ALDH1A1CYP2D6LMNAHSD17B10CA12
SCHEMBL2782787 0.68 ALDH1A1 (0.39) ALDH1A1CYP2D6LMNAHSD17B10CA12
SCHEMBL9492387 0.68 ALDH1A1 (0.36) ALDH1A1CYP2D6CPB2LMNAHSD17B10

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
CN-101541170-B Application of block copolymers based on vinyl lactams and vinyl acetate as solubilizers BASF SE 2013-07-17 CN disclosed
CN-101541170-A Application of block copolymers based on vinyl lactams and vinyl acetate as solubilizers BASF SE (DE) 2009-09-23 CN disclosed