SCHEMBL7308079

SCHEMBL7308079

COC(=O)c1ccc(C(=O)N[C@H](C(=O)N(CC(=O)OCc2ccccc2)C2Cc3ccccc3C2)C(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.53
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 5/20 0.43
CYP3A4 P08684 5/20 0.43
TSHR P16473 1/20 0.42
TAOK1 Q7L7X3 1/20 0.40
TAOK3 Q9H2K8 1/20 0.40
TP53 P04637 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CASP1 P29466 1/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
CASP6 P55212 1/20 0.38

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
SCHEMBL7301747 0.88 ELANE (0.49) ELANEMAPTALDH1A1CYP3A4TSHR
SCHEMBL27278810 0.83 ELANE (0.57) ELANECTSLCTSBCTSSCTSK
SCHEMBL7303462 0.83 ELANE (0.57) ELANECTSLCTSBCTSSCTSK
SCHEMBL7323530 0.81 ELANE (0.69) ELANECTSLCTSBCTSSCTSK
SCHEMBL7301626 0.81 ELANE (0.68) ELANEMAPTRAB9A
SCHEMBL7300428 0.80 ELANE (0.59) ELANE
SCHEMBL6261622 0.80 ELANE (0.49) ELANEMAPTALDH1A1MEN1KMT2A
SCHEMBL6261618 0.80 ELANE (0.49) ELANEMAPTALDH1A1MEN1KMT2A
SCHEMBL6266593 0.80 ELANE (0.49) ELANEMAPTALDH1A1MEN1KMT2A
SCHEMBL6266596 0.80 ELANE (0.49) ELANEMAPTALDH1A1MEN1KMT2A

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