SCHEMBL2065087

SCHEMBL2065087

O=S(=O)(S)CC[C@@H](O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.47
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AOC3 Q16853 4/20 0.41
BCAT2 O15382 1/20 0.41
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP2C19 P33261 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL2065739 1.00 RIPK1 (0.47) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL11644157 0.82 LMNA (0.52) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL27609342 0.81 RIPK1 (0.52) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL3996513 0.79 RIPK1 (0.46) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL2065088 0.79 RIPK1 (0.46) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL3996526 0.79 RIPK1 (0.46) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL2065740 0.79 RIPK1 (0.46) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL7075226 0.77 RIPK1 (0.47) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL972987 0.77 RIPK1 (0.47) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL7076936 0.77 RIPK1 (0.47) RIPK1LMNAKDM4EL3MBTL1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357524-B2 Chemically modified mutant serine hydrolases show improved catalytic activity and chiral selectivity DANISCO US INC. (US) 2013-01-22 US claimed
US-8148128-B2 Chemically modified mutant serine hydrolases show improved catalytic activity and chiral selectivity THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-04-03 US claimed
US-8357524-B2 Chemically modified mutant serine hydrolases show improved catalytic activity and chiral selectivity DANISCO US INC. (US) 2013-01-22 US disclosed
US-20120295329-A1 CHEMICALLY MODIFIED MUTANT SERINE HYDROLASES SHOW IMPROVED CATALYTIC ACTIVITY AND CHIRAL SELECTIVITY THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-11-22 US disclosed
US-20120156721-A1 CHEMICALLY MODIFIED MUTANT SERINE HYDROLASES SHOW IMPROVED CATALYTIC ACTIVITY AND CHIRAL SELECTIVITY THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-06-21 US disclosed
US-8148128-B2 Chemically modified mutant serine hydrolases show improved catalytic activity and chiral selectivity THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-04-03 US disclosed
EP-1129180-B1 CHEMICALLY MODIFIED MUTANT SERINE HYDROLASES UNIV TORONTO (CA) 2009-06-10 EP disclosed
US-20090075329-A1 CHEMICALLY MODIFIED MUTANT SERINE HYDROLASES SHOW IMPROVED CATALYTIC ACTIVITY AND CHIRAL SELECTIVITY THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2009-03-19 US disclosed
US-20050282248-A1 Chemically modified mutant serine hydrolases show improved catalytic activity and chiral selectivity JONES JOHN B 2005-12-22 US disclosed
EP-1129180-A2 CHEMICALLY MODIFIED MUTANT SERINE HYDROLASES GENENCOR INTERNATIONAL, INC. (US) 2001-09-05 EP disclosed
WO-2000028007-A2 CHEMICALLY MODIFIED MUTANT SERINE HYDROLASES GENENCOR INTERNATIONAL, INC. (US) 2000-05-18 WO disclosed