SCHEMBL7323530

SCHEMBL7323530

CCOC(=O)CN(C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C1Cc2ccccc2C1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.69
CTSB P07858 5/20 0.51
CTSL P07711 5/20 0.51
CTSS P25774 5/20 0.51
CTSK P43235 4/20 0.51
CASP1 P29466 1/20 0.46
CASP3 P42574 1/20 0.46
CASP7 P55210 1/20 0.46
CASP6 P55212 1/20 0.46
CASP8 Q14790 1/20 0.46
CAPN1 P07384 3/20 0.46
CCR1 P32246 1/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7325702 0.90 ELANE (0.61) ELANECTSBCTSLCTSSCTSK
SCHEMBL7331321 0.89 ELANE (0.56) ELANECTSBCTSLCTSSCTSK
SCHEMBL7332393 0.89 ELANE (0.56) ELANECTSBCTSLCTSSCTSK
SCHEMBL7303462 0.88 ELANE (0.57) ELANECTSBCTSLCTSSCTSK
SCHEMBL27278810 0.88 ELANE (0.57) ELANECTSBCTSLCTSSCTSK
SCHEMBL7308079 0.81 ELANE (0.53) ELANECTSBCTSLCTSSCTSK
SCHEMBL7330793 0.81 ELANE (0.49) ELANECTSBCTSLCTSSCTSK
SCHEMBL7325639 0.81 CTSL (0.57) ELANECTSBCTSLCTSSCTSK
SCHEMBL7431398 0.80 ELANE (0.51) ELANECTSBCTSLCTSSCTSK
SCHEMBL9725896 0.80 CTSK (0.53) ELANECTSBCTSLCTSSCTSK

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-5221665-A N-substituted amides BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1993-06-22 US disclosed
US-5166154-A Inhibitors of human neutrophil elastase BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1992-11-24 US disclosed
EP-0369391-A2 N-substituted amides BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1990-05-23 EP disclosed