SCHEMBL7337355

SCHEMBL7337355

C=CCOC(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 19/20 0.59

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
SCHEMBL9241574 1.00 CASP1 (0.59) CASP1
SCHEMBL9696739 1.00 CASP1 (0.59) CASP1
SCHEMBL10888856 0.90 CASP1 (0.59) CASP1
SCHEMBL10884952 0.90 CASP1 (0.59) CASP1
SCHEMBL4679345 0.88 CASP1 (0.48) CASP1
SCHEMBL4679349 0.88 CASP1 (0.48) CASP1
SCHEMBL28836378 0.87 CASP1 (0.47) CASP1
SCHEMBL28836379 0.87 CASP1 (0.47) CASP1
SCHEMBL6808276 0.85 CASP1 (0.46) CASP1
SCHEMBL12522512 0.85 CASP1 (0.62) CASP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5866545-A ANTIINFLAMMATORY AGENTS; NERVOUS SYSTEM DISORDERS; GASTROINTESTINAL DISORDERS; UROGENITAL DISORDERS MERCK & CO., INC. (US) 1999-02-02 US disclosed
EP-0648128-A4 DNA ENCODING PRECURSOR INTERLEUKIN 1-g(b) CONVERTING ENZYME. MERCK & CO INC (US) 1995-07-26 EP disclosed
EP-0648128-A1 DNA ENCODING PRECURSOR INTERLEUKIN 1$g(b) CONVERTING ENZYME MERCK & CO. INC. (US) 1995-04-19 EP disclosed
WO-1995005192-A1 SUBSTITUTED KETONE DERIVATIVES AS INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME MERCK & CO., INC. (US) 1995-02-23 WO disclosed
WO-1994000154-A1 DNA ENCODING PRECURSOR INTERLEUKIN 1β CONVERTING ENZYME MERCK & CO., INC. (US) 1994-01-06 WO disclosed
WO-1992002521-A1 1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-02-20 WO disclosed
US-4540579-A 2-[(R) Amino acid alkyl]penems SCHERING CORPORATION (US) 1985-09-10 US disclosed