SCHEMBL7141467

SCHEMBL7141467

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.54
NR3C1 P04150 8/20 0.45
CASP1 P29466 2/20 0.45
CASP3 P42574 1/20 0.45
CASP4 P49662 1/20 0.45
CASP5 P51878 1/20 0.45
CASP7 P55210 1/20 0.45
CASP9 P55211 1/20 0.45
CASP6 P55212 1/20 0.45
CASP8 Q14790 1/20 0.45
CASP10 Q92851 1/20 0.45
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PGR P06401 2/20 0.42
NR3C2 P08235 2/20 0.42
EDNRA P25101 1/20 0.42
MAGI3 Q5TCQ9 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7141464 1.00 CTSL (0.54) CTSLNR3C1CASP1CASP3CASP4
SCHEMBL5576246 0.98 CTSL (0.56) CTSLNR3C1CASP1CASP3CASP4
SCHEMBL14513406 0.98 CTSL (0.56) CTSLNR3C1CASP1CASP3CASP4
SCHEMBL29876236 0.98 CTSL (0.56) CTSLNR3C1CASP1CASP3CASP4
SCHEMBL2442227 0.98 CTSL (0.56) CTSLNR3C1CASP1CASP3CASP4
SCHEMBL7137705 0.98 CTSL (0.56) CTSLNR3C1CASP1CASP3CASP4
SCHEMBL14513411 0.90 CTSL (0.48) CTSLNR3C1PGRNR3C2SMN1; SMN2
SCHEMBL14513412 0.90 CTSL (0.48) CTSLNR3C1PGRNR3C2SMN1; SMN2
SCHEMBL8742444 0.89 CTSL (0.51) CTSLNR3C1CASP1CASP3CASP4
SCHEMBL8742438 0.89 CTSL (0.51) CTSLNR3C1CASP1CASP3CASP4

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 7 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
EP-0731107-A1 Production of aldehyde derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-11 EP 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