SCHEMBL9501960

SCHEMBL9501960

CCOC(=O)[C@H](CC(C)C)NC(C)P(=O)(O)OCC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.38
ADAM17 P78536 2/20 0.36
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
HSD17B10 Q99714 1/20 0.35
FPR2 P25090 5/20 0.35
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
LAP3 P28838 3/20 0.34
PTPN9 P43378 1/20 0.33
CAD P27708 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CAPN9 O14815 1/20 0.32

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
SCHEMBL7375640 0.86 PPID (0.39) PPIDADAM17MMP1MMP3MMP9
SCHEMBL13879602 0.77 PPID (0.44) PPIDTAS1R3TAS1R1CADL3MBTL1
SCHEMBL20221812 0.73 PPID (0.40) PPIDADAM17MMP1MMP3MMP9
SCHEMBL18270584 0.73 PPID (0.40) PPIDADAM17MMP1MMP3MMP9
SCHEMBL10974177 0.72 ALDH1A1 (0.43) PPIDMMP1MMP3CADL3MBTL1
SCHEMBL10974215 0.72 ALDH1A1 (0.43) PPIDMMP1MMP3CADL3MBTL1
SCHEMBL18512760 0.72 PPID (0.42) PPIDADAM17MMP1MMP3MMP9
SCHEMBL7376495 0.72 ALDH1A1 (0.43) ADAM17MMP1MMP3MMP9LAP3
SCHEMBL7376499 0.72 ALDH1A1 (0.43) ADAM17MMP1MMP3MMP9LAP3
SCHEMBL17198435 0.71 PPID (0.41) PPIDADAM17MMP1MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0320118-B1 PEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY BEECHAM GROUP PLC (GB) 1993-06-02 EP disclosed
US-4935404-A ANTIARTHRITIC AGENTS; RHEUMATIC DISEASES BEECHAM GROUP P.L.C. OF BEECHAM HOUSE (GB) 1990-06-19 US disclosed
EP-0320118-A2 Peptides with collagenase inhibiting activity BEECHAM GROUP PLC (GB) 1989-06-14 EP disclosed