SCHEMBL7442937

SCHEMBL7442937

CC(C)[C@H](NC(=O)c1ccc(C(=O)NCC(=O)O)cc1)C(=O)N(CC(=O)C(N)(C(=O)C(F)(F)F)C(C)C)C1Cc2ccccc2C1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.47
GCGR P47871 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
PRMT5 O14744 1/20 0.32

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
SCHEMBL7299006 0.85 ELANE (0.56) ELANEGCGR
SCHEMBL6266596 0.78 ELANE (0.49) ELANEALDH1A1MAPTHTT
SCHEMBL6266593 0.78 ELANE (0.49) ELANEALDH1A1MAPTHTT
SCHEMBL7301033 0.76 ELANE (0.59) ELANE
SCHEMBL7301626 0.76 ELANE (0.68) ELANEMAPT
SCHEMBL6261618 0.74 ELANE (0.49) ELANEL3MBTL1ALDH1A1MAPTHTT
SCHEMBL6261622 0.74 ELANE (0.49) ELANEL3MBTL1ALDH1A1MAPTHTT
SCHEMBL7301747 0.74 ELANE (0.49) ELANEALDH1A1MAPTHTTPRMT5
SCHEMBL7300428 0.73 ELANE (0.59) ELANEL3MBTL1
SCHEMBL7300078 0.71 ELANE (0.52) ELANEALDH1A1HTTPRMT5

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-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