SCHEMBL7141420

SCHEMBL7141420

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.63
ECE1 P42892 6/20 0.57
ERAP2 Q6P179 3/20 0.54
EDNRA P25101 1/20 0.54
MMP2 P08253 5/20 0.53
MMP9 P14780 4/20 0.53
MMP8 P22894 4/20 0.53
MMP1 P03956 2/20 0.53
IL1RN P18510 3/20 0.53
ACE P12821 1/20 0.53
ADAM10 O14672 1/20 0.52
ADAM12 O43184 1/20 0.52
ADAMTS4 O75173 1/20 0.52
MMP3 P08254 1/20 0.52
MMP7 P09237 1/20 0.52
MMP12 P39900 1/20 0.52
MMP13 P45452 1/20 0.52
MMP14 P50281 1/20 0.52
MMP15 P51511 1/20 0.52
MMP16 P51512 1/20 0.52

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
SCHEMBL11016816 0.86 CTSL (0.69) CTSLECE1ACE
SCHEMBL7123258 0.86 CTSL (0.71) CTSLACE
SCHEMBL13254023 0.86 CTSL (0.71) CTSLACE
SCHEMBL29434560 0.86 IL1RN (0.54) CTSLERAP2EDNRAMMP2MMP9
SCHEMBL15393705 0.84 ECE1 (0.52) CTSLECE1ERAP2MMP2MMP9
SCHEMBL31094974 0.84 ECE1 (0.65) ECE1ERAP2EDNRAMMP2MMP9
SCHEMBL29434598 0.82 EDNRA (0.65) ECE1ERAP2EDNRAMMP2MMP9
SCHEMBL8742301 0.82 CCKBR (0.59) CTSLECE1ERAP2MMP2MMP8
SCHEMBL16330216 0.82 CTSL (0.66) CTSLEDNRAACE
SCHEMBL14648801 0.82 CTSL (0.66) CTSLEDNRAACE

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