SCHEMBL7066975

SCHEMBL7066975

CNC(=S)[C@H](CC1CCCCC1)NC(=O)C[C@@H](CC(C)c1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.46
MMP2 P08253 9/20 0.44
MMP1 P03956 6/20 0.44
MMP3 P08254 6/20 0.44
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
PSEN1 P49768 4/20 0.39
PSEN2 P49810 4/20 0.39
APH1B Q8WW43 4/20 0.39
NCSTN Q92542 4/20 0.39
APH1A Q96BI3 4/20 0.39
PSENEN Q9NZ42 4/20 0.39
FCER2 P06734 1/20 0.39
BMP1 P13497 1/20 0.39

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
SCHEMBL7068140 0.86 MMP2 (0.51) MMP2MMP1MMP3
SCHEMBL7068135 0.86 MMP2 (0.51) MMP2MMP1MMP3
SCHEMBL7135106 0.81 ACE (0.49) LTA4HMMP2MMP1MMP3FCER2
SCHEMBL7066970 0.80 LTA4H (0.41) LTA4HMMP2MMP1MMP3CTSL
SCHEMBL7071281 0.72 LTA4H (0.50) LTA4HMMP2MMP1MMP3CTSL
SCHEMBL6420349 0.72 MMP1 (0.55) LTA4HMMP2MMP1MMP3CTSL
SCHEMBL7372451 0.72 MMP1 (0.55) LTA4HMMP2MMP1MMP3CTSL
SCHEMBL7983199 0.71 MMP1 (0.58) MMP2MMP1MMP3FCER2MMP9
SCHEMBL7983204 0.71 MMP1 (0.58) MMP2MMP1MMP3FCER2MMP9
SCHEMBL27549172 0.71 MMP2 (0.58) MMP2MMP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1060161-B1 MATRIX METALLOPROTEINASE INHIBITORS LEO PHARMA AS WITH SECONDARY N (DK) 2003-06-11 EP disclosed
US-6277876-B1 Matrix metalloproteinase inhibitors LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2001-08-21 US disclosed
EP-1060161-A1 MATRIX METALLOPROTEINASE INHIBITORS LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2000-12-20 EP disclosed
WO-1999044989-A1 MATRIX METALLOPROTEINASE INHIBITORS LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 1999-09-10 WO disclosed