SCHEMBL8773200

SCHEMBL8773200

CCCCC(C)C(=O)CC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.47
SLC15A1 P46059 1/20 0.40
FDPS P14324 1/20 0.40
CA2 P00918 6/20 0.39
MAPK1 P28482 1/20 0.39
ACE2 Q9BYF1 1/20 0.38
DPP7 Q9UHL4 2/20 0.37
DPP8 Q6V1X1 1/20 0.37
ALDH1A1 P00352 1/20 0.37
METAP1 P53582 1/20 0.36

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
SCHEMBL10280928 0.81 CA1 (0.45) CA1SLC15A1FDPSCA2MAPK1
SCHEMBL11646472 0.81 CA1 (0.45) CA1FDPSCA2MAPK1ACE2
SCHEMBL19004774 0.79 CA1 (0.52) CA1SLC15A1FDPSCA2MAPK1
SCHEMBL3286382 0.79 CA1 (0.52) CA1SLC15A1FDPSCA2MAPK1
SCHEMBL20942896 0.78 BLM (0.60) ACE2ALDH1A1
SCHEMBL2526282 0.77 CA1 (0.50) CA1SLC15A1FDPSCA2MAPK1
SCHEMBL10904102 0.77 CA1 (0.50) CA1FDPSMAPK1ALDH1A1
SCHEMBL3099302 0.77 CA1 (0.50) CA1FDPSMAPK1ALDH1A1
SCHEMBL14280939 0.77 ALDH1A1 (0.35) ALDH1A1
SCHEMBL15386609 0.77 CA1 (0.50) CA1FDPSCA2MAPK1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0671380-B1 Process for the catalytic splitting off of carboxylic ester and acyl groups from organic compounds BASF AG (DE) 1997-10-29 EP disclosed
US-5532386-A CATALYTIC CARBONIC ESTER AND A TERTIARY AMINE BASF AKTIENGESELLSCHAFT (DE) 1996-07-02 US disclosed
EP-0671380-A1 Process for the catalytic splitting off of carboxylic ester and acyl groups from organic compounds BASF AKTIENGESELLSCHAFT (DE) 1995-09-13 EP disclosed