SCHEMBL10705113

SCHEMBL10705113

CCOC(=O)[C@H](C)OS(=O)(=O)Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX15 P16050 1/20 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
L3MBTL1 Q9Y468 1/20 0.34
EPHX2 P34913 2/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
POLB P06746 2/20 0.33
TRPA1 O75762 1/20 0.32
HPGD P15428 1/20 0.31
PIN1 Q13526 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
SCHEMBL8971502 1.00 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10KMT2AALOX15
SCHEMBL6682528 0.81 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10KMT2AALOX15
SCHEMBL28855151 0.81 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10KMT2AALOX15
SCHEMBL3395531 0.81 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10KMT2AALOX15
SCHEMBL17469834 0.81 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10KMT2AALOX15
SCHEMBL2329267 0.81 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10KMT2AALOX15
SCHEMBL12375335 0.79 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10KMT2AALOX15
SCHEMBL7717519 0.79 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10KMT2AALOX15
SCHEMBL17923981 0.79 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10KMT2AALOX15
SCHEMBL7717518 0.79 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10KMT2AALOX15

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
EP-0151473-B1 PROCESS FOR THE PRODUCTION OF ESTERS OF OPTICALLY ACTIVE 2-ARYLALCANOIC ACIDS BASF Aktiengesellschaft (DE) 1988-01-27 EP disclosed