SCHEMBL9646181

SCHEMBL9646181

CCCCCCC(CP(=O)(O)C(N)CC1CCCCC1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
GRIK1 P39086 2/20 0.44
GRIK2 Q13002 2/20 0.44
METAP2 P50579 1/20 0.43
DPEP1 P16444 7/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
LAP3 P28838 3/20 0.41
ANPEP P15144 3/20 0.40
ERAP2 Q6P179 2/20 0.40
METAP1 P53582 1/20 0.39

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
SCHEMBL9647093 0.89 ALDH1A1 (0.47) ALDH1A1KMT2AGRIK1GRIK2METAP2
SCHEMBL9647060 0.84 METAP1 (0.46) ALDH1A1KMT2AGRIK1GRIK2SLC1A2
SCHEMBL9645168 0.84 METAP1 (0.54) DPEP1LAP3ANPEPERAP2METAP1
SCHEMBL9646994 0.83 DPEP1 (0.49) DPEP1LAP3ANPEPERAP2METAP1
SCHEMBL9645181 0.82 LAP3 (0.57) GRIK1GRIK2SLC1A2SLC1A1LAP3
SCHEMBL8737263 0.80 ALDH1A1 (0.58) ALDH1A1KMT2AGRIK1GRIK2METAP2
SCHEMBL8737248 0.80 ALDH1A1 (0.58) ALDH1A1KMT2AGRIK1GRIK2METAP2
SCHEMBL8735264 0.80 ALDH1A1 (0.58) ALDH1A1KMT2AGRIK1GRIK2METAP2
SCHEMBL28807909 0.80 ALDH1A1 (0.58) ALDH1A1KMT2AGRIK1GRIK2METAP2
SCHEMBL5372466 0.80 ALDH1A1 (0.58) ALDH1A1KMT2AGRIK1GRIK2METAP2

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