SCHEMBL7305601

SCHEMBL7305601

CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)Nc1ccc(C(=O)NCC(=O)OCc2ccccc2)cc1)C(C)C)C(=O)C(F)(F)F

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 14/20 0.70
CMA1 P23946 6/20 0.59
CTSG P08311 1/20 0.59

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
SCHEMBL7300501 0.93 ELANE (0.68) ELANECMA1CTSG
SCHEMBL7310232 0.89 ELANE (0.80) ELANECMA1CTSG
SCHEMBL7432895 0.85 ELANE (0.74) ELANECMA1CTSG
SCHEMBL7302317 0.83 ELANE (1.00) ELANECMA1CTSG
SCHEMBL10081595 0.82 ELANE (0.65) ELANECMA1CTSG
SCHEMBL7443048 0.82 ELANE (0.68) ELANECMA1CTSG
SCHEMBL7303733 0.82 ELANE (0.84) ELANECMA1CTSG
SCHEMBL3935563 0.81 ELANE (0.67) ELANECMA1CTSG
SCHEMBL20943154 0.81 ELANE (0.67) ELANECMA1CTSG
SCHEMBL20943188 0.81 ELANE (0.67) ELANECMA1CTSG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0494071-B1 Trifluoromethylketone tripeptide derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-04-16 EP disclosed
US-5430025-A Elastase-inhibiting peptides bearing a C-terminal trifluoromethylketone moiety FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-04 US disclosed
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