SCHEMBL9697346

SCHEMBL9697346

CC(N)P(=O)(O)CC(CCc1ccccc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 11/20 0.65
ERAP2 Q6P179 9/20 0.65
ANPEP P15144 9/20 0.65
LAP3 P28838 4/20 0.65
IL1RN P18510 2/20 0.60
ENPEP Q07075 1/20 0.58
CPA1 P15085 4/20 0.58
CPA2 P48052 4/20 0.58
CPA4 Q9UI42 4/20 0.58

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
SCHEMBL9697234 0.92 ERAP1 (0.59) ERAP1ERAP2ANPEPLAP3IL1RN
SCHEMBL9646484 0.86 ERAP1 (0.70) ERAP1ERAP2ANPEPLAP3IL1RN
SCHEMBL9698353 0.86 ANPEP (0.50) ERAP1ERAP2ANPEPLAP3ENPEP
SCHEMBL9696151 0.85 ANPEP (0.72) ERAP1ERAP2ANPEPLAP3ENPEP
SCHEMBL9697216 0.83 ERAP1 (0.47) ERAP1ERAP2ANPEPLAP3IL1RN
SCHEMBL7395511 0.82 MMP2 (0.56) ERAP1ERAP2ANPEPLAP3CPA1
SCHEMBL5051239 0.82 ERAP1 (0.58) ERAP1ERAP2ANPEPLAP3
SCHEMBL9697220 0.80 ERAP2 (0.58) ERAP1ERAP2ANPEPLAP3IL1RN
SCHEMBL21067571 0.79 ANPEP (1.00) ERAP1ERAP2ANPEPLAP3IL1RN
SCHEMBL21067570 0.79 ANPEP (1.00) ERAP1ERAP2ANPEPLAP3IL1RN

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-5143908-A Carboxylic acids containing amino and phosphinyl groups MERCK & CO., INC. (US) 1992-09-01 US disclosed
US-5099063-A 3-(1-aminoalkylphosphinyl)-(2-substituted)propionic acids MERCK & CO., INC. (US) 1992-03-24 US disclosed
EP-0266978-A2 Novel antibacterial agents and potentiators of carbapenem antibiotics MERCK & CO. INC. (US) 1988-05-11 EP disclosed
US-4715994-A PHOSPHINIC ACID DERIVATIVES MERCK & CO., INC. (US) 1987-12-29 US disclosed