SCHEMBL2065162

SCHEMBL2065162

O=C1OC[C@@H](c2ccccc2)N1CCS

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GLS O94925 4/20 0.42
SCD5 Q86SK9 1/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
IDH1 O75874 5/20 0.41
HDAC1 Q13547 2/20 0.40
AR P10275 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
SCHEMBL2064442 1.00 GLS (0.42) GLSSCD5NPC1LMNATP53
SCHEMBL14665075 0.84 GLS (0.44) GLSSCD5NPC1LMNATP53
SCHEMBL14665079 0.84 GLS (0.44) GLSSCD5NPC1LMNATP53
SCHEMBL4007238 0.82 GLS (0.43) GLSSCD5NPC1LMNATP53
SCHEMBL2065214 0.82 IDH1 (0.41) GLSSCD5NPC1LMNATP53
SCHEMBL8138150 0.81 HDAC1 (0.44) GLSSCD5NPC1LMNATP53
SCHEMBL266818 0.81 GLS (0.46) GLSSCD5NPC1LMNATP53
SCHEMBL17870942 0.81 GLS (0.46) GLSSCD5NPC1LMNATP53
SCHEMBL12333636 0.81 GLS (0.46) GLSSCD5NPC1LMNATP53
SCHEMBL6433693 0.81 POLB (0.42) GLSSCD5NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
US-20050282248-A1 Chemically modified mutant serine hydrolases show improved catalytic activity and chiral selectivity JONES JOHN B 2005-12-22 US claimed
EP-1129180-A2 CHEMICALLY MODIFIED MUTANT SERINE HYDROLASES GENENCOR INTERNATIONAL, INC. (US) 2001-09-05 EP claimed
WO-2000028007-A2 CHEMICALLY MODIFIED MUTANT SERINE HYDROLASES GENENCOR INTERNATIONAL, INC. (US) 2000-05-18 WO 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
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