SCHEMBL7437294

SCHEMBL7437294

CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1)C(C)C)C(=O)C(F)(F)F

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 18/20 0.71
CTSG P08311 1/20 0.60
CMA1 P23946 2/20 0.52

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
SCHEMBL7434338 0.87 ELANE (0.62) ELANECTSGCMA1
SCHEMBL23777549 0.87 ELANE (0.72) ELANECTSG
SCHEMBL7859147 0.87 ELANE (0.72) ELANECTSG
SCHEMBL9435994 0.87 ELANE (0.72) ELANECTSG
SCHEMBL7310675 0.86 ELANE (0.80) ELANECTSGCMA1
SCHEMBL18880036 0.86 ELANE (0.68) ELANECTSGCMA1
SCHEMBL17378380 0.86 ELANE (0.68) ELANECTSGCMA1
SCHEMBL22686717 0.85 ELANE (0.69) ELANECTSGCMA1
SCHEMBL20943172 0.85 ELANE (0.69) ELANECTSGCMA1
SCHEMBL18880040 0.85 ELANE (0.66) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5296591-A Enzyme inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-03-22 US disclosed
EP-0494071-A2 Trifluoromethylketone tripeptide derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-07-08 EP disclosed