SCHEMBL4307884

SCHEMBL4307884

CC(=O)N[C@H](C=O)CC(C)C.CSCC[C@H](N)C=O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 7/20 0.37
CTSB P07858 5/20 0.37
FOLH1 Q04609 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CTSK P43235 1/20 0.35
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
CTSD P07339 3/20 0.31
BACE1 P56817 3/20 0.31

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
SCHEMBL7911546 0.84 ALDH1A1 (0.42) CAPN1CTSBALDH1A1CTSK
SCHEMBL4302692 0.82 CTSK (0.50) CAPN1CTSBALDH1A1CTSK
SCHEMBL2995716 0.80 ALDH1A1 (0.50) CAPN1CTSBALDH1A1CTSK
SCHEMBL12219762 0.80 ALDH1A1 (0.50) CAPN1CTSBALDH1A1CTSK
SCHEMBL7974645 0.80 ALDH1A1 (0.50) CAPN1CTSBALDH1A1CTSK
Levacetylleucine SCHEMBL8572338 0.80 ALDH1A1 (0.52) FOLH1ALDH1A1CTSDBACE1
SCHEMBL5499048 0.80 CTSK (0.48) CAPN1CTSBALDH1A1CTSK
SCHEMBL742876 0.78 ALDH1A1 (0.41) FOLH1ALDH1A1CTSKMETAP2METAP1
SCHEMBL1697387 0.78 ALDH1A1 (0.41) FOLH1ALDH1A1CTSKMETAP2METAP1
SCHEMBL18056660 0.76 CAPN1 (0.35) CAPN1CTSBFOLH1CTSKMETAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090317854-A1 Recombinant adenylate cyclase of BORDETELLA SP. for diagnostic and immunomonitoring uses, method of diagnosing or immunomonitoring using said recombinant adenylate cyclase, and kit for diagnosing or immunomonitoring comprising said recombinant adenylate cyclase Institut Pasteur, INSERM (Institut National De La Sante Et De La Recherche Medicale) 2009-12-24 US disclosed
US-20060286613-A1 Recombinant adenylate cyclase of Bordetella sp. for diagnostic and immunomonitoring uses, method of diagnosing or immunomonitoring using said recombinant adenylate cyclase, and kit for diagnosing or immunomonitoring comprising said recombinant adenylate cyclase VETERINARY LABORATORIES AGENCY-WEYBRIDGE (GB) 2006-12-21 US disclosed
EP-1716415-A1 RECOMBINANT ADENYLATE CYCLASE OF BORDETELLA SP. FOR DIAGNOSTIC AND IMMUNOMONITORING USES, METHOD OF DIAGNOSING OR IMMUNOMONITORING USING SAID RECOMBINANT ADENYLATE CYCLASE, AND KIT FOR DIAGNOSING OR IMMUNOMONITORING COMPRISING SAID RECOMBINANT ADENYLATE CYCLASE INSTITUT PASTEUR (FR) 2006-11-02 EP disclosed
US-20060019323-A1 Recombinant adenylate cyclase of Bordetella sp. for diagnostic and immunomonitoring uses, method of diagnosing or immunomonitoring using said recombinant adenylate cyclase, and kit for diagnosing or immunomonitoring comprising said recombinant adenylate cyclase INSTITUT PASTEUR (FR) 2006-01-26 US disclosed
WO-2005054851-A1 RECOMBINANT ADENYLATE CYCLASE OF BORDETELLA SP. FOR DIAGNOSTIC AND IMMUNOMONITORING USES, METHOD OF DIAGNOSING OR IMMUNOMONITORING USING SAID RECOMBINANT ADENYLATE CYCLASE, AND KIT FOR DIAGNOSING OR IMMUNOMONITORING COMPRISING SAID RECOMBINANT ADENYLATE CYCLASE INSTITUT PASTEUR (FR) 2005-06-16 WO disclosed