SCHEMBL7137705

SCHEMBL7137705

CCC(C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@@H](C=O)Cc1c[nH]c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.56
NR3C1 P04150 10/20 0.47
NR3C2 P08235 4/20 0.43
PGR P06401 3/20 0.43
CASP1 P29466 2/20 0.43
CASP3 P42574 1/20 0.43
CASP4 P49662 1/20 0.43
CASP5 P51878 1/20 0.43
CASP7 P55210 1/20 0.43
CASP9 P55211 1/20 0.43
CASP6 P55212 1/20 0.43
CASP8 Q14790 1/20 0.43
CASP10 Q92851 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ECE1 P42892 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
SCHEMBL5576246 1.00 CTSL (0.56) CTSLNR3C1NR3C2PGRCASP1
SCHEMBL14513406 1.00 CTSL (0.56) CTSLNR3C1NR3C2PGRCASP1
SCHEMBL29876236 1.00 CTSL (0.56) CTSLNR3C1NR3C2PGRCASP1
SCHEMBL2442227 1.00 CTSL (0.56) CTSLNR3C1NR3C2PGRCASP1
SCHEMBL7141467 0.98 CTSL (0.54) CTSLNR3C1NR3C2PGRCASP1
SCHEMBL7141464 0.98 CTSL (0.54) CTSLNR3C1NR3C2PGRCASP1
SCHEMBL14513411 0.92 CTSL (0.48) CTSLNR3C1NR3C2PGRSMN1; SMN2
SCHEMBL14513412 0.92 CTSL (0.48) CTSLNR3C1NR3C2PGRSMN1; SMN2
SCHEMBL8742438 0.90 CTSL (0.51) CTSLNR3C1NR3C2PGRCASP1
SCHEMBL8742444 0.90 CTSL (0.51) CTSLNR3C1NR3C2PGRCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0611756-B1 Alcohol or aldehyde derivatives as cathepsin L inhibitor and bone resorption inhibitor TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-07 EP disclosed
US-5955491-A ADMINISTERING CATHEPSIN L INHIBITOR AND BONE RESORPTION INHIBITOR CONTAINING AN ALCOHOL OR ALDEHYDE DERIVATIVE, OR SALT THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-21 US disclosed
US-5716980-A PROPHYLACTIC, THERAPY FOR OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 US disclosed
US-5639781-A PREVENT REABSORPTION OF BONE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-06-17 US disclosed
US-5498728-A OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-12 US disclosed
EP-0611756-A2 Alcohol or aldehyde derivatives as cathepsin L inhibitor and bone resorption inhibitor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-08-24 EP disclosed