SCHEMBL883412

SCHEMBL883412

CC1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[C@@H]1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 7/20 0.39
▸ CTSL P07711 2/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ PIK3CA P42336 3/20 0.35
▸ PIK3CB P42338 3/20 0.35
▸ PIK3CD O00329 2/20 0.34
▸ PIK3CG P48736 2/20 0.34
▸ PIK3C3 Q8NEB9 1/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34

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
SCHEMBL20629567 0.86 PIK3CA (0.39) ELANECTSLCTSBCTSKPIK3CA
SCHEMBL23394429 0.84 PIK3CA (0.32) ELANEPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL14899633 0.82 ELANE (0.39) ELANE
SCHEMBL18771789 0.81 PIK3CA (0.36) PIK3CAPIK3CBPIK3CDPIK3CGPIK3C3
SCHEMBL8055611 0.80 ELANE (0.42) ELANE
SCHEMBL14232792 0.80 ELANE (0.42) ELANE
SCHEMBL806180 0.80 ELANE (0.42) ELANE
SCHEMBL30556768 0.78 CTSL (0.37) ELANECTSLCTSBCTSK
SCHEMBL26119261 0.78 ELANE (0.38) ELANECTSLCTSBCTSK
SCHEMBL26120954 0.78 ELANE (0.40) ELANECTSLCTSBCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012040242-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-03-29 — — WO disclosed
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