SCHEMBL7305276

SCHEMBL7305276

COC(=O)c1ccc(NC(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)OCc2ccccc2)C(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.56
FKBP1A P62942 10/20 0.51
CMA1 P23946 2/20 0.49
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
UBE2M P61081 1/20 0.44
DCUN1D1 Q96GG9 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL7297349 0.90 FKBP1A (0.54) ELANEFKBP1A
SCHEMBL7309861 0.86 ELANE (0.62) ELANECMA1ALDH1A1TSHR
SCHEMBL1992452 0.84 FKBP1A (0.60) ELANEFKBP1ACMA1ALDH1A1CYP3A4
SCHEMBL18619664 0.82 ELANE (0.60) ELANEFKBP1ACMA1
SCHEMBL22209466 0.82 ELANE (0.60) ELANEFKBP1ACMA1
SCHEMBL7322912 0.81 FKBP1A (0.52) FKBP1ACMA1ALDH1A1CYP3A4TSHR
SCHEMBL7322906 0.81 FKBP1A (0.52) FKBP1ACMA1ALDH1A1CYP3A4TSHR
SCHEMBL22209363 0.80 ALDH1A1 (0.62) ELANEFKBP1ACMA1ALDH1A1CYP3A4
SCHEMBL1506200 0.80 ALDH1A1 (0.62) ELANEFKBP1ACMA1ALDH1A1CYP3A4
SCHEMBL30051146 0.80 ALDH1A1 (0.62) ELANEFKBP1ACMA1ALDH1A1CYP3A4

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