SCHEMBL3971019

SCHEMBL3971019

NC(=O)C(O)(C(=O)O)C(O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.41
ACLY P53396 1/20 0.41
TSHR P16473 1/20 0.30

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
SCHEMBL721349 0.84 CPT2 (0.48) CPT2ACLYTSHR
SCHEMBL30050299 0.75 CPT2 (0.41) CPT2ACLYTSHR
SCHEMBL1161008 0.75 CPT2 (0.41) CPT2ACLYTSHR
SCHEMBL11803474 0.73 ALDH1A1 (0.33) TSHR
Water SCHEMBL28115838 0.73 CPT2 (0.40) CPT2ACLYTSHR
SCHEMBL15208227 0.71 CPT2 (0.39) CPT2ACLYTSHR
SCHEMBL31119117 0.71 CPT2 (0.39) CPT2ACLYTSHR
SCHEMBL27626894 0.70 CPT2 (0.46) CPT2ACLYTSHR
SCHEMBL28818879 0.70 CPT2 (0.38) CPT2ACLY
SCHEMBL29249799 0.70 CPT2 (0.38) CPT2ACLYTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444367-B1 RECA-NEGATIVE AND RHAB-NEGATIVE MICROORGANISM EVONIK DEGUSSA GMBH (DE) 2009-02-11 EP claimed