SCHEMBL7979726

SCHEMBL7979726

N[C@@H](CS)C(=O)S(=O)(=O)S

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.50
▸ SLC7A11 Q9UPY5 1/20 0.50
▸ ENPEP Q07075 10/20 0.34
▸ ANPEP P15144 2/20 0.33
▸ SLC22A6 Q4U2R8 1/20 0.31
▸ PMP22 Q01453 1/20 0.30

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
SCHEMBL27324362 0.80 PTGS1 (0.50) PTGS1SLC7A11ENPEPANPEPSLC22A6
SCHEMBL27324363 0.80 PTGS1 (0.50) PTGS1SLC7A11ENPEPANPEPSLC22A6
Cysteine SCHEMBL9490772 0.73 PTGS1 (0.76) PTGS1SLC7A11ENPEPANPEPPMP22
Cysteine SCHEMBL9490762 0.73 PTGS1 (0.76) PTGS1SLC7A11ENPEPANPEPPMP22
Cysteine SCHEMBL28147071 0.71 PTGS1 (0.73) PTGS1SLC7A11ENPEPPMP22
Cysteine SCHEMBL431233 0.70 PTGS1 (0.80) PTGS1SLC7A11ENPEPANPEPPMP22
Cysteine SCHEMBL11127428 0.70 PTGS1 (0.80) PTGS1SLC7A11ENPEPANPEPPMP22
Cysteine SCHEMBL431234 0.70 PTGS1 (0.80) PTGS1SLC7A11ENPEPANPEPPMP22
Cysteine SCHEMBL11127430 0.70 PTGS1 (0.80) PTGS1SLC7A11ENPEPANPEPPMP22
Cysteine SCHEMBL17473902 0.69 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6287787-B1 OLIGOPEPTIDE CHAINS OF A FIRST OLIGOPEPTIDE PORTION ARE BONDED BY A DISULFIDE BOND TO THE OLIGOPEPTIDE CHAINS OF A SECOND OLIGOPEPTIDE MIXTURE PORTION TORREY PINES INSTITUTE FOR MOLECULAR STUDIES 2001-09-11 — — US disclosed
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