SCHEMBL9646355

SCHEMBL9646355

CCC(CP(=O)(O)C(N)CC)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 8/20 0.61
LAP3 P28838 5/20 0.61
GCLC P48506 1/20 0.54
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48
ERAP2 Q6P179 7/20 0.47
ERAP1 Q9NZ08 4/20 0.45
CA2 P00918 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL7605870 0.86 FOLH1 (0.59) ANPEPLAP3GCLC
SCHEMBL9647092 0.86 CA2 (0.55) ANPEPLAP3GCLCSLC1A3SLC1A2
SCHEMBL9697359 0.84 ANPEP (0.56) ANPEPLAP3GCLCSLC1A3SLC1A2
SCHEMBL9646484 0.79 ERAP1 (0.70) ANPEPLAP3ERAP2ERAP1
SCHEMBL1304145 0.76 FOLH1 (0.64) GCLCSLC1A3SLC1A2SLC1A1CA2
SCHEMBL9645181 0.74 LAP3 (0.57) ANPEPLAP3SLC1A3SLC1A2SLC1A1
SCHEMBL14927203 0.72 GCLC (0.59) GCLCSLC1A3SLC1A2SLC1A1CA2
SCHEMBL9647001 0.72 LAP3 (0.72) ANPEPLAP3SLC1A3SLC1A2SLC1A1
SCHEMBL9715079 0.72 CHRM1 (0.52) ANPEPLAP3GCLCSLC1A3SLC1A2
SCHEMBL2976105 0.72 GCLC (0.48) GCLCSLC1A3SLC1A2SLC1A1CA2

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