SCHEMBL7140264

SCHEMBL7140264

CC[C@H](C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@H](C(=O)N(c1cccc2ccccc12)[C@@H](C)C=O)[C@@H](C)CC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
ADAM17 P78536 1/20 0.41
CASP1 P29466 1/20 0.38
SLC6A9 P48067 2/20 0.38
KCNA5 P22460 2/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
F2 P00734 1/20 0.35
MME P08473 1/20 0.34
ACE P12821 1/20 0.34
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
REN P00797 1/20 0.34

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
SCHEMBL7137507 0.83 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1ADAM17CASP1
SCHEMBL7137510 0.83 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1ADAM17CASP1
SCHEMBL7141899 0.80 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1ADAM17SLC6A9
SCHEMBL7141895 0.80 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1ADAM17SLC6A9
SCHEMBL7142623 0.78 CASP1 (0.47) SLC1A3SLC1A2SLC1A1ADAM17CASP1
SCHEMBL7142626 0.78 CASP1 (0.47) SLC1A3SLC1A2SLC1A1ADAM17CASP1
SCHEMBL7138604 0.78 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1ADAM17SLC6A9
SCHEMBL7141464 0.75 CTSL (0.54) CASP1
SCHEMBL7141467 0.75 CTSL (0.54) CASP1
SCHEMBL3354732 0.75 SLC1A3 (0.67) SLC1A3SLC1A2SLC1A1ADAM17CASP1

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