SCHEMBL7066970

SCHEMBL7066970

CCC(c1ccccc1)C(CC(=O)NC(CC1CCCCC1)C(=S)NC)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
GRN P28799 1/20 0.40
SORT1 Q99523 1/20 0.40
MMP3 P08254 3/20 0.38
NPC1 O15118 1/20 0.38
OPRK1 P41145 1/20 0.38
CPB2 Q96IY4 1/20 0.38
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
KMT2A Q03164 1/20 0.37
MMP2 P08253 3/20 0.36
MMP1 P03956 2/20 0.36

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
SCHEMBL7071281 0.88 LTA4H (0.50) LTA4HCTSLCTSBCTSSCTSK
SCHEMBL7068133 0.86 MMP2 (0.46) MMP3MMP2MMP1
SCHEMBL7135100 0.81 MME (0.48) MMP2MMP1MMEACECPA1
SCHEMBL7066975 0.80 LTA4H (0.46) LTA4HCTSLCTSBCTSSCTSK
SCHEMBL7983227 0.69 MMP1 (0.54) MMP3MMP2MMP1MME
SCHEMBL7068105 0.69 EPHX2 (0.47) NPC1MMELMNA
SCHEMBL7068135 0.68 MMP2 (0.51) MMP3MMP2MMP1
SCHEMBL27549172 0.65 MMP2 (0.58) MMP3MMP2MMP1
SCHEMBL18127223 0.65 GRN (0.69) LTA4HCTSLCTSBCTSSCTSK
SCHEMBL1083717 0.64 HKDC1 (0.50) KMT2AMMELMNAPOLB

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