SCHEMBL9697216

SCHEMBL9697216

CC(N)P(=O)(O)CC(CCc1cccc2ccccc12)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 10/20 0.47
ANPEP P15144 9/20 0.47
ERAP2 Q6P179 8/20 0.47
LAP3 P28838 3/20 0.47
IL1RN P18510 2/20 0.44
CPA1 P15085 1/20 0.43
CPA2 P48052 1/20 0.43
CPA4 Q9UI42 1/20 0.43
MME P08473 1/20 0.43

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
SCHEMBL9697346 0.83 ERAP1 (0.65) ERAP1ANPEPERAP2LAP3IL1RN
SCHEMBL9698353 0.81 ANPEP (0.50) ERAP1ANPEPERAP2LAP3MME
SCHEMBL8890206 0.80 TDP1 (0.56)
SCHEMBL7609383 0.80 MMP13 (0.48)
SCHEMBL9697234 0.76 ERAP1 (0.59) ERAP1ANPEPERAP2LAP3IL1RN
SCHEMBL7821394 0.75 KMT2A (0.53) CPA1MME
SCHEMBL5324039 0.75 SLC1A3 (0.54)
SCHEMBL5053304 0.74 GRM3 (0.51)
SCHEMBL9696151 0.72 ANPEP (0.72) ERAP1ANPEPERAP2LAP3MME
SCHEMBL5059960 0.72 GRM3 (0.49)

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