SCHEMBL7325702

SCHEMBL7325702

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(CC(=O)O)C1Cc2ccccc2C1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.61
CTSL P07711 4/20 0.54
CTSB P07858 4/20 0.54
CTSK P43235 4/20 0.54
CTSS P25774 4/20 0.54
CASP3 P42574 3/20 0.49
CASP1 P29466 2/20 0.49
CASP7 P55210 2/20 0.49
CASP6 P55212 1/20 0.49
CASP8 Q14790 1/20 0.49
CAPN1 P07384 2/20 0.46
CCR1 P32246 1/20 0.46
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL7323530 0.90 ELANE (0.69) ELANECTSLCTSBCTSKCTSS
SCHEMBL9725896 0.89 CTSK (0.53) ELANECTSLCTSBCTSKCTSS
SCHEMBL7330509 0.88 CTSK (0.55) ELANECTSLCTSBCTSKCTSS
SCHEMBL7325161 0.88 CTSK (0.54) ELANECTSLCTSBCTSKCTSS
SCHEMBL27278810 0.85 ELANE (0.57) ELANECTSLCTSBCTSKCTSS
SCHEMBL7303462 0.85 ELANE (0.57) ELANECTSLCTSBCTSKCTSS
SCHEMBL6266593 0.81 ELANE (0.49) ELANECCR1MEN1LMNAKMT2A
SCHEMBL6266596 0.81 ELANE (0.49) ELANECCR1MEN1LMNAKMT2A
SCHEMBL7378215 0.80 CTSL (0.66) ELANECTSLCTSBCTSKCTSS
SCHEMBL7325575 0.79 CTSB (0.50) ELANECTSLCTSBCTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863915-B1 ACYLATED ENOL DERIVATIVES OF ALPHA-KETOESTERS AND ALPHA-KETOAMIDES HOECHST MARION ROUSSEL INC (US) 2000-02-02 EP disclosed
US-5948886-A ELASTASE INHIBITORS OR PRODRUGS; FOR TREATMENT OF EMPHYSEMA, CYSTIC FIBROSIS, ADULT RESPIRATORY DISTRESS SYNDROME, GOUT, DISSEMINATED INTRAVASCULAR COAGULATION, RHEUMATOID ARTHRITIS, CHRONIC BRONCHITIS, INFLAMMATORY BOWEL DISEASE, SEPTICEMIA HOECHST MARION ROUSSEL, INC. (US) 1999-09-07 US disclosed
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