SCHEMBL11033392

SCHEMBL11033392

C=C(CSC[C@H](N)C(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 5/20 0.55
GRIK2 Q13002 4/20 0.55
GRM1 Q13255 2/20 0.55
GRM2 Q14416 2/20 0.55
ARG1 P05089 1/20 0.47
ARG2 P78540 1/20 0.47
NOS2 P35228 3/20 0.42
NOS1 P29475 2/20 0.42
NOS3 P29474 1/20 0.42
BHMT Q93088 3/20 0.39
TET2 Q6N021 3/20 0.38
TET3 O43151 1/20 0.38
TET1 Q8NFU7 1/20 0.38
PTGS1 P23219 1/20 0.37
SLC7A11 Q9UPY5 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
SLC7A5 Q01650 1/20 0.34
GRM8 O00222 1/20 0.34
GRM6 O15303 1/20 0.34

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
SCHEMBL11033390 1.00 GRIK1 (0.55) GRIK1GRIK2GRM1GRM2ARG1
SCHEMBL4677572 0.81 ARG1 (0.52) GRIK1GRIK2GRM1GRM2ARG1
SCHEMBL10187369 0.80 NOS2 (0.50) GRIK1GRIK2GRM1GRM2ARG1
SCHEMBL1553985 0.79 ARG1 (0.50) GRIK1GRIK2GRM1GRM2ARG1
SCHEMBL27932283 0.79 ARG1 (0.50) GRIK1GRIK2GRM1GRM2ARG1
SCHEMBL18788686 0.79 ARG1 (0.53) GRIK1GRIK2GRM1GRM2ARG1
SCHEMBL2781165 0.79 ARG1 (0.53) GRIK1GRIK2GRM1GRM2ARG1
Carbocysteine SCHEMBL20854 0.79 BHMT (0.59) GRIK1GRIK2GRM1GRM2ARG1
Carbocysteine SCHEMBL9236855 0.79 BHMT (0.59) GRIK1GRIK2GRM1GRM2ARG1
Carbocysteine SCHEMBL69149 0.79 BHMT (0.59) GRIK1GRIK2GRM1GRM2ARG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4539320-A COSMETICS L'OREAL (FR) 1985-09-03 US disclosed
US-4483983-A Substituted derivatives of thiamorpholinone SOCIETE ANONYME DITE: L'OREAL (FR) 1984-11-20 US disclosed