SCHEMBL9077915

SCHEMBL9077915

NC(CC(=O)NCCS)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.46
▸ SLC7A11 Q9UPY5 1/20 0.46
▸ OTC P00480 1/20 0.41
▸ GRIK1 P39086 4/20 0.41
▸ GRIK2 Q13002 2/20 0.41
▸ GRM1 Q13255 1/20 0.41
▸ GRM2 Q14416 1/20 0.41
▸ SLC1A1 P43005 3/20 0.40
▸ SLC1A3 P43003 2/20 0.40
▸ SLC1A2 P43004 2/20 0.40
▸ HDAC3 O15379 4/20 0.40
▸ HDAC4 P56524 4/20 0.40
▸ HDAC1 Q13547 4/20 0.40
▸ HDAC7 Q8WUI4 4/20 0.40
▸ HDAC2 Q92769 4/20 0.40
▸ HDAC10 Q969S8 4/20 0.40
▸ HDAC11 Q96DB2 4/20 0.40
▸ HDAC8 Q9BY41 4/20 0.40
▸ HDAC6 Q9UBN7 4/20 0.40
▸ HDAC9 Q9UKV0 4/20 0.40

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
SCHEMBL9374101 1.00 PTGS1 (0.46) PTGS1SLC7A11OTCGRIK1GRIK2
SCHEMBL1512927 0.82 OTC (0.42) PTGS1SLC7A11OTCGRIK1GRIK2
SCHEMBL1768730 0.82 OTC (0.42) PTGS1SLC7A11OTCGRIK1GRIK2
SCHEMBL1768732 0.82 OTC (0.42) PTGS1SLC7A11OTCGRIK1GRIK2
SCHEMBL7188599 0.82 OTC (0.42) PTGS1SLC7A11OTCGRIK1GRIK2
SCHEMBL28634437 0.81 PTGS1 (0.51) PTGS1SLC7A11OTCGRIK1GRIK2
SCHEMBL9372532 0.81 PTGS1 (0.51) PTGS1SLC7A11OTCGRIK1GRIK2
SCHEMBL13585138 0.79 DNM1 (0.45) OTCGRIK1GRIK2GRM1GRM2
SCHEMBL13585136 0.79 DNM1 (0.45) OTCGRIK1GRIK2GRM1GRM2
SCHEMBL1768892 0.78 GSR (0.48) OTCGRIK1GRIK2GRM1GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5578313-A Therapeutic use of vitaletheine modulators in neoplasia THE UNIVERSITY OF NEW MEXICO (US) 1996-11-26 — — US disclosed
EP-0539525-A4 — — 1994-01-12 — — EP disclosed
EP-0539525-A1 VITALETHEINE AND USE IN CELL CULTURE AND THERAPY UNIVERSITY OF NEW MEXICO (US) 1993-05-05 — — EP disclosed
WO-1992000955-A1 VITALETHEINE AND USE IN CELL CULTURE AND THERAPY UNIVERSITY OF NEW MEXICO (US) 1992-01-23 — — WO disclosed
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