SCHEMBL9645181

SCHEMBL9645181

CCCCCCC(CP(=O)(O)C(N)CCCCC)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 6/20 0.57
GRIK1 P39086 2/20 0.55
GRIK2 Q13002 2/20 0.55
SLC1A2 P43004 2/20 0.53
SLC1A1 P43005 2/20 0.53
ANPEP P15144 2/20 0.50
SLC1A3 P43003 1/20 0.46
S1PR2 O95136 5/20 0.45
S1PR1 P21453 5/20 0.45
S1PR3 Q99500 5/20 0.45
S1PR4 O95977 4/20 0.45
ERAP2 Q6P179 2/20 0.45
ERAP1 Q9NZ08 2/20 0.45
CA2 P00918 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL9697329 0.88 GRIK1 (0.55) LAP3GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL9647092 0.86 CA2 (0.55) LAP3GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL9647060 0.83 METAP1 (0.46) LAP3GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL9647001 0.82 LAP3 (0.72) LAP3GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL9646181 0.82 ALDH1A1 (0.46) LAP3GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL9714012 0.82 FOLH1 (0.62) LAP3GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL15068278 0.82 FOLH1 (0.62) LAP3GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL9714134 0.82 FOLH1 (0.62) LAP3GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL9697381 0.81 SLC1A2 (0.53) LAP3GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL11112382 0.80 GRIK1 (0.56) GRIK1GRIK2SLC1A2SLC1A1SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5147867-A Bactericides, (carba)penicillins MERCK & CO., INC. (US) 1992-09-15 US claimed
EP-0366469-A2 Phosphorus containing enzyme inhibitors MERCK & CO. INC. (US) 1990-05-02 EP claimed
US-5147867-A Bactericides, (carba)penicillins MERCK & CO., INC. (US) 1992-09-15 US disclosed
US-5145990-A Dehydropeptidase, carbapenicillin potentiation MERCK & CO., INC. (US) 1992-09-08 US disclosed
US-4962097-A IN COMBINATION WITH A CARBAPENEM OR PENEM ANTIBIOTIC MERCK & CO., INC. (US) 1990-10-09 US disclosed
EP-0366469-A2 Phosphorus containing enzyme inhibitors MERCK & CO. INC. (US) 1990-05-02 EP disclosed