SCHEMBL7438832

SCHEMBL7438832

CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)N[C@H](CCNC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.59
MMP3 P08254 5/20 0.56
CTSL P07711 2/20 0.56
CTSS P25774 2/20 0.56
CTSK P43235 2/20 0.56
MMP9 P14780 2/20 0.54
ADAM17 P78536 1/20 0.54
MMP2 P08253 1/20 0.53
PTPN1 P18031 1/20 0.53

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
SCHEMBL10707043 0.95 MMP1 (0.57) MMP1MMP3CTSLCTSSCTSK
SCHEMBL10705401 0.95 MMP1 (0.59) MMP1MMP3CTSLCTSSCTSK
SCHEMBL11131051 0.95 CTSL (0.59) MMP1MMP3CTSLCTSSCTSK
SCHEMBL7356544 0.95 CTSL (0.59) MMP1MMP3CTSLCTSSCTSK
SCHEMBL10825249 0.94 MMP1 (0.57) MMP1MMP3CTSLCTSSCTSK
SCHEMBL10825200 0.93 PTPN1 (0.57) MMP1CTSLCTSSCTSKMMP9
SCHEMBL10349462 0.93 PTPN1 (0.52) MMP1MMP3CTSLCTSSCTSK
SCHEMBL10349211 0.92 CAPN1 (0.52) MMP1MMP3MMP2PTPN1
SCHEMBL10349341 0.92 CTSK (0.56) MMP1MMP3CTSLCTSSCTSK
SCHEMBL10349496 0.92 CTSK (0.57) MMP1MMP3CTSLCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0126974-B1 CARBOXYALKYL PEPTIDE DERIVATIVES G.D. Searle & Co. (US) 1988-06-15 EP claimed
US-4511504-A COLLAGENASE INHIBITORS G.D. SEARLE & CO. (US) 1985-04-16 US claimed
EP-0126974-A1 Carboxyalkyl peptide derivatives G.D. Searle & Co. (US) 1984-12-05 EP claimed
EP-0358660-B1 SYNTHETIC INHIBITORS OF MAMMALIAN COLLAGENASE RES CORP TECHNOLOGIES INC (US) 1994-05-25 EP disclosed
WO-1992022523-A2 PEPTIDE DERIVATIVES OF COLLAGENASE INHIBITOR RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1992-12-23 WO disclosed
EP-0358660-A4 SYNTHETIC INHIBITORS OF MAMMALIAN COLLAGENASE 1991-01-09 EP disclosed
EP-0159396-B1 CARBOXYALKYL PEPTIDE DERIVATIVES G.D. Searle & Co. (US) 1990-06-27 EP disclosed
EP-0358660-A1 SYNTHETIC INHIBITORS OF MAMMALIAN COLLAGENASE. RES CORP TECHNOLOGIES INC (US) 1990-03-21 EP disclosed
WO-1988006890-A1 SYNTHETIC INHIBITORS OF MAMMALIAN COLLAGENASE RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1988-09-22 WO disclosed
EP-0126974-B1 CARBOXYALKYL PEPTIDE DERIVATIVES G.D. Searle & Co. (US) 1988-06-15 EP disclosed
US-4568666-A COLLAGENASE INHIBITORS, ANTIARTJRITIC AGENTS G. D. SEARLE & CO. (US) 1986-02-04 US disclosed
EP-0159396-A2 Carboxyalkyl peptide derivatives G.D. Searle & Co. (US) 1985-10-30 EP disclosed
US-4511504-A COLLAGENASE INHIBITORS G.D. SEARLE & CO. (US) 1985-04-16 US disclosed