SCHEMBL7314093

SCHEMBL7314093

CC(C)[C@H](NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 15/20 0.51
CTRC Q99895 2/20 0.49
ELANE P08246 2/20 0.48
F2 P00734 1/20 0.46
PRSS1 P07477 1/20 0.46
MALT1 Q9UDY8 1/20 0.44
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43

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
SCHEMBL7323283 0.91 CMA1 (0.53) CMA1CTRCELANEMMP1MMP3
SCHEMBL7320775 0.91 CMA1 (0.51) CMA1CTRCELANEMALT1MMP1
SCHEMBL7316705 0.90 CMA1 (0.50) CMA1CTRCELANEMMP1MMP3
SCHEMBL7321341 0.89 CMA1 (0.56) CMA1CTRCELANEF2PRSS1
SCHEMBL7314317 0.83 ITGB3 (0.59) CMA1F2PRSS1MALT1
SCHEMBL7324440 0.83 MALT1 (0.59) CMA1ELANEMALT1
SCHEMBL7320260 0.82 MALT1 (0.45) CMA1CTRCELANEF2PRSS1
SCHEMBL7316785 0.81 ELANE (0.49) CMA1ELANEMALT1
SCHEMBL7315995 0.81 ITGB3 (0.62) CMA1F2PRSS1
SCHEMBL7307515 0.81 CMA1 (0.54) CMA1F2PRSS1MALT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4691007-A HUMAN LEUKOCYTE ELASTASE INHIBITORS ICI AMERICAS INC. (US) 1987-09-01 US disclosed
US-4596789-A Pharmaceuticals ICI AMERICAS INC. (US) 1986-06-24 US disclosed
EP-0124317-A2 Proline derivatives ICI AMERICAS INC. (US) 1984-11-07 EP disclosed