SCHEMBL7329263

SCHEMBL7329263

COC(OC(C)=O)(c1ccccc1)N1C(=O)C2=C(C3CCC2CC3)S1(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.33
CHRM3 P20309 2/20 0.31

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
SCHEMBL7330926 0.94 ELANE (0.40) ELANECHRM3
SCHEMBL7336876 0.67 ELANE (0.51) ELANECHRM3
SCHEMBL7337481 0.67 ELANE (0.32) ELANE
SCHEMBL784813 0.59 CES1 (0.47) ELANE
SCHEMBL9414607 0.57 KEAP1 (0.45) CHRM3
SCHEMBL8324538 0.57 CYP2C19 (0.48) ELANE
SCHEMBL1096837 0.57 KCNN4 (0.47) ELANE
SCHEMBL11379208 0.57 CYP2C19 (0.52) ELANE
SCHEMBL5666953 0.57 KCNN4 (0.47) ELANE
SCHEMBL4883114 0.56 KEAP1 (0.50) CHRM3

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-5783589-A 2-saccharinylmethyl aryl and arloxy acetates useful as proteolytic enzyme inhibitors and compositions and method of use thereof SANOFI (FR) 1998-07-21 US disclosed
US-5489604-A TREATING DEGENERATIVE DISEASES STERLING WINTHROP, INC. (US) 1996-02-06 US disclosed
US-5385923-A Treatment of degenerative diseases STERLING WINTHROP INC. (US) 1995-01-31 US disclosed