SCHEMBL1158084

SCHEMBL1158084

N[C@@H](CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 11/20 0.41
ARG1 P05089 1/20 0.39
ARG2 P78540 1/20 0.39
KMO O15229 2/20 0.38
GRIK1 P39086 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
PTGS1 P23219 1/20 0.37
SLC7A11 Q9UPY5 1/20 0.37
GRIK2 Q13002 1/20 0.36
GRM1 Q13255 1/20 0.36
GRM2 Q14416 1/20 0.36
SLC1A1 P43005 1/20 0.36

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
SCHEMBL1158082 1.00 KIF11 (0.41) KIF11ARG1ARG2KMOGRIK1
SCHEMBL17241888 0.76 KIF11 (0.41) KIF11ARG1ARG2PTGS1SLC7A11
SCHEMBL17241886 0.76 KIF11 (0.41) KIF11ARG1ARG2PTGS1SLC7A11
SCHEMBL12240530 0.69
SCHEMBL23765930 0.69
SCHEMBL16181929 0.69
SCHEMBL17234227 0.69
SCHEMBL342512 0.68 MAOA (0.57) KIF11PTGS1
Cystine SCHEMBL10225 0.68 PTGS1 (0.50) KIF11ARG1ARG2GRIK1KMT2A
Cystine SCHEMBL21114356 0.68 PTGS1 (0.50) KIF11ARG1ARG2GRIK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0277688-A2 Method for preparing thiol compounds NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 1988-08-10 EP claimed
US-7888417-B2 core or the layer includes a composition formed from a base polymer, a crosslink initiator, and at least one additive; additive has at least one carbon-oxygen-boron linkage, carbon in the linkage being a secondary or tertiary carbon; enhances coefficient of restitution and/or reduces compression of core ACUSHNET COMPANY (US) 2011-02-15 US disclosed
US-20080261722-A1 COMPOSITIONS FOR USE IN GOLF BALLS ACUSHNET COMPANY 2008-10-23 US disclosed
US-20080227567-A1 COMPOSITIONS FOR USE IN GOLF BALLS ACUSHNET COMPANY 2008-09-18 US disclosed
US-20080176678-A1 Compositions for Use in Golf Balls ACUSHNET COMPANY 2008-07-24 US disclosed
US-7361711-B2 Compositions for use in golf balls ACUSHNET COMPANY (US) 2008-04-22 US disclosed
US-7358310-B2 Compositions for use in golf balls ACUSHNET COMPANY (US) 2008-04-15 US disclosed
US-7358309-B2 core or the layer includes a composition formed from a base polymer, a crosslink initiator, and at least one additive; additive has at least one carbon-oxygen-boron linkage, carbon in the linkage being a secondary or tertiary carbon; enhances coefficient of restitution and/or reduces compression of core ACUSHNET COMPANY (US) 2008-04-15 US disclosed
US-7358308-B2 Compositions for use in golf balls ACUSHNET COMPANY (US) 2008-04-15 US disclosed
US-20060281586-A1 Compositions for use in golf balls JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2006-12-14 US disclosed
US-20060281587-A1 Compositions for use in golf balls JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2006-12-14 US disclosed
US-20050245657-A1 Compositions for use in golf balls JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2005-11-03 US disclosed
US-20050245652-A1 Compositions for use in golf balls JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2005-11-03 US disclosed
US-5578470-A USING CYSTEINE NEDERLANDSE ORGANISATIE VOOR TOEGEPAST (NL) 1996-11-26 US disclosed
EP-0277688-B1 Method for preparing thiol compounds TNO (NL) 1993-10-27 EP disclosed
US-5182194-A Biosynthesis, reaction of pulegone and cysteine NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPE LIJK ONDERZOEKTNO (NL) 1993-01-26 US disclosed
EP-0277688-A2 Method for preparing thiol compounds NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 1988-08-10 EP disclosed