SCHEMBL2065740

SCHEMBL2065740

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.46
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AOC3 Q16853 3/20 0.40
SRC P12931 1/20 0.40
BCAT2 O15382 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GMNN O75496 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
PMP22 Q01453 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2C19 P33261 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
SCHEMBL3996526 1.00 RIPK1 (0.46) RIPK1LMNAALDH1A1KDM4EL3MBTL1
SCHEMBL3996513 1.00 RIPK1 (0.46) RIPK1LMNAALDH1A1KDM4EL3MBTL1
SCHEMBL2065088 1.00 RIPK1 (0.46) RIPK1LMNAALDH1A1KDM4EL3MBTL1
SCHEMBL4000877 0.85 RIPK1 (0.36) RIPK1LMNAALDH1A1KDM4EL3MBTL1
SCHEMBL11644157 0.85 LMNA (0.52) RIPK1LMNAALDH1A1KDM4EL3MBTL1
SCHEMBL7075226 0.79 RIPK1 (0.47) RIPK1LMNAALDH1A1KDM4EL3MBTL1
SCHEMBL7076936 0.79 RIPK1 (0.47) RIPK1LMNAALDH1A1KDM4EL3MBTL1
SCHEMBL972987 0.79 RIPK1 (0.47) RIPK1LMNAALDH1A1KDM4EL3MBTL1
SCHEMBL2065087 0.79 RIPK1 (0.47) RIPK1LMNAALDH1A1KDM4EL3MBTL1
SCHEMBL2065739 0.79 RIPK1 (0.47) RIPK1LMNAALDH1A1KDM4EL3MBTL1

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 9 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