SCHEMBL7306418

SCHEMBL7306418

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.53
ELANE P08246 5/20 0.52
ACE P12821 9/20 0.51
ACE2 Q9BYF1 4/20 0.50
CTSG P08311 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 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
SCHEMBL20484733 0.90 LMNA (0.53) PREPELANEACEACE2CTSG
SCHEMBL3471466 0.90 LMNA (0.53) PREPELANEACEACE2CTSG
SCHEMBL7362814 0.90 LMNA (0.53) PREPELANEACEACE2CTSG
SCHEMBL18619558 0.89 ACE (0.62) PREPACEACE2MEN1KMT2A
SCHEMBL20485168 0.89 ACE (0.62) PREPACEACE2MEN1KMT2A
SCHEMBL20484538 0.88 PREP (0.53) PREPELANEACEACE2CTSG
SCHEMBL20484656 0.88 PREP (0.53) PREPELANEACEACE2CTSG
SCHEMBL20484654 0.88 CCR1 (0.57) PREPELANEACEACE2CTSG
SCHEMBL20484539 0.88 PREP (0.53) PREPELANEACEACE2CTSG
SCHEMBL22798260 0.88 CCR1 (0.57) PREPELANEACEACE2

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