SCHEMBL6860414

SCHEMBL6860414

CC(C)[C@H](NC(=O)C1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(O)C(=O)NCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.54
CMA1 P23946 5/20 0.54
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
CTSK P43235 1/20 0.51
CAPN1 P07384 2/20 0.49
CTSD P07339 1/20 0.49
MALT1 Q9UDY8 1/20 0.48
REN P00797 1/20 0.48

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
SCHEMBL6591775 1.00 ELANE (0.54) ELANECMA1CTSLCTSBCTSK
SCHEMBL13339328 0.88 ELANE (0.58) ELANECMA1
SCHEMBL13036087 0.88 ELANE (0.58) ELANECMA1
Hydrochloric Acid SCHEMBL7287630 0.86 CMA1 (0.50) ELANECMA1CTSLCTSBCTSK
SCHEMBL7279072 0.86 CTSL (0.56) ELANECMA1CTSLCTSBCTSK
SCHEMBL8092357 0.86 CMA1 (0.58) ELANECMA1
SCHEMBL7323606 0.85 CMA1 (0.53) ELANECMA1CTSLCTSBCTSK
SCHEMBL7285949 0.85 CMA1 (0.53) ELANECMA1CTSLCTSBCTSK
SCHEMBL1506522 0.83 CMA1 (0.59) ELANECMA1CTSLCTSBCTSK
SCHEMBL6595982 0.83 DPP3 (0.51) ELANE

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
US-6835714-B1 Heterocyclic compounds, intermediates thereof and elastase inhibitors DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-12-28 US disclosed