SCHEMBL7141008

SCHEMBL7141008

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 2/20 0.35
CPB2 Q96IY4 2/20 0.35
PTGS1 P23219 1/20 0.32
SLC7A11 Q9UPY5 1/20 0.32
PRSS1 P07477 1/20 0.31
TMPRSS15 P98073 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 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
SCHEMBL8752967 0.84 ALDH1A1 (0.31) PTGS1SLC7A11
SCHEMBL9410679 0.84 ALDH1A1 (0.31) PTGS1SLC7A11
SCHEMBL9410676 0.84 ALDH1A1 (0.31) PTGS1SLC7A11
SCHEMBL2358765 0.78 ALDH1A1 (0.32) PTGS1SLC7A11
SCHEMBL2358767 0.78 ALDH1A1 (0.32) PTGS1SLC7A11
SCHEMBL11564544 0.77 PTGS1 (0.35) PTGS1SLC7A11
SCHEMBL4541471 0.76 ALDH1A1 (0.33) PTGS1SLC7A11
SCHEMBL4541470 0.76 ALDH1A1 (0.33) PTGS1SLC7A11
SCHEMBL29192552 0.75 GRIK1 (0.40) PTGS1SLC7A11GRIN2DGRIN3BGRIN1
SCHEMBL1158205 0.74 ALDH1A1 (0.32) PTGS1SLC7A11

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
WO-2003075901-A2 USE OF S-SUBSTITUTED L-CRYSTEINE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF DERMATOLOGICAL DISORDERS GHISALBERTI CARLO (BR) 2003-09-18 WO disclosed