SCHEMBL8251369

SCHEMBL8251369

CC(C)[C@H](NC(=O)c1ccc(CO)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 15/20 0.71
CTSG P08311 1/20 0.71
CMA1 P23946 5/20 0.57

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
SCHEMBL8250889 1.00 ELANE (0.71) ELANECTSGCMA1
SCHEMBL18880036 0.90 ELANE (0.68) ELANECTSGCMA1
SCHEMBL17378380 0.90 ELANE (0.68) ELANECTSGCMA1
SCHEMBL7310675 0.90 ELANE (0.80) ELANECTSGCMA1
SCHEMBL20943172 0.88 ELANE (0.69) ELANECTSGCMA1
SCHEMBL18880040 0.88 ELANE (0.66) ELANECTSGCMA1
SCHEMBL22686717 0.88 ELANE (0.69) ELANECTSGCMA1
SCHEMBL20943188 0.87 ELANE (0.67) ELANECTSGCMA1
SCHEMBL20943154 0.87 ELANE (0.67) ELANECTSGCMA1
SCHEMBL30583172 0.87 ELANE (0.67) ELANECTSGCMA1

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
WO-2007017259-A2 USE OF SPECIFIC TRIFLUOROMETHYL KETONES FOR PREVENTING AND TREATING PANCREATITIS Ernst-Moritz-Arndt-Universität Greifswald (DE) 2007-02-15 WO disclosed