SCHEMBL2065159

SCHEMBL2065159

O=C1OC[C@@H](c2ccccc2)N1CC=S

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLS O94925 4/20 0.43
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HDAC1 Q13547 2/20 0.41
IDH1 O75874 3/20 0.41
SCD5 Q86SK9 1/20 0.40
AR P10275 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL2064441 1.00 GLS (0.43) GLSNPC1LMNATP53HPGD
SCHEMBL5242251 0.87 GLS (0.46) GLSNPC1LMNATP53HPGD
SCHEMBL13104615 0.87 GLS (0.46) GLSNPC1LMNATP53HPGD
SCHEMBL2065214 0.86 IDH1 (0.41) GLSNPC1LMNATP53HPGD
SCHEMBL266818 0.82 GLS (0.46) GLSNPC1LMNATP53HPGD
SCHEMBL17870942 0.82 GLS (0.46) GLSNPC1LMNATP53HPGD
SCHEMBL12333636 0.82 GLS (0.46) GLSNPC1LMNATP53HPGD
SCHEMBL8138150 0.82 HDAC1 (0.44) GLSNPC1LMNATP53HPGD
SCHEMBL5890288 0.82 AVPR1A (0.45) GLSSMN1; SMN2HDAC1ALDH1A1
SCHEMBL6948748 0.82 GLS (0.42) GLSNPC1LMNATP53HPGD

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