SCHEMBL9647220

SCHEMBL9647220

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

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 3/20 0.65
▸ LAP3 P28838 2/20 0.65
▸ DPEP1 P16444 6/20 0.43
▸ ERAP2 Q6P179 5/20 0.43
▸ ERAP1 Q9NZ08 3/20 0.42
▸ IL1RN P18510 2/20 0.42
▸ LNPEP Q9UIQ6 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
SCHEMBL9646994 0.88 DPEP1 (0.49) ANPEPLAP3DPEP1ERAP2
SCHEMBL7277423 0.86 ANPEP (0.47) ANPEPLAP3DPEP1ERAP2ERAP1
Bromide SCHEMBL10716158 0.85 ANPEP (0.46) ANPEPLAP3DPEP1ERAP2ERAP1
SCHEMBL9645168 0.83 METAP1 (0.54) ANPEPLAP3DPEP1ERAP2
SCHEMBL9646181 0.80 ALDH1A1 (0.46) ANPEPLAP3DPEP1ERAP2
SCHEMBL9246018 0.77 LTA4H (0.44) ANPEPLAP3DPEP1ERAP2
SCHEMBL7285396 0.77 CPB2 (0.47) ANPEPLAP3ERAP2ERAP1LNPEP
SCHEMBL7285402 0.77 CPB2 (0.47) ANPEPLAP3ERAP2ERAP1LNPEP
SCHEMBL9647093 0.76 ALDH1A1 (0.47) ANPEPLAP3DPEP1ERAP2ERAP1
SCHEMBL9697243 0.75 LAP3 (0.77) ANPEPLAP3ERAP2ERAP1IL1RN

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 4 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 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
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