SCHEMBL7070491

SCHEMBL7070491

CNC(=S)[C@H](Cc1ccccc1)N(O)C(=O)[C@@H](CC(N)=O)CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.42
MMP9 P14780 6/20 0.42
MMP1 P03956 5/20 0.42
MMP8 P22894 4/20 0.42
MMP7 P09237 3/20 0.42
FCER2 P06734 2/20 0.42
MMP3 P08254 2/20 0.42
ANPEP P15144 1/20 0.40
RNPEP Q9H4A4 1/20 0.40
DNPEP Q9ULA0 1/20 0.40
ALOX5 P09917 1/20 0.40
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
ACE P12821 1/20 0.38

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
SCHEMBL7072801 0.88 MMP2 (0.56) MMP2MMP9MMP1MMP8MMP7
SCHEMBL7067053 0.78 CNR1 (0.42) MMP8
SCHEMBL7069865 0.74 CNR1 (0.41) MMP8
SCHEMBL8399907 0.73 MMP2 (0.55) MMP2MMP9MMP1MMP7MMP3
SCHEMBL7983199 0.68 MMP1 (0.58) MMP2MMP9MMP1MMP8MMP7
SCHEMBL7983204 0.68 MMP1 (0.58) MMP2MMP9MMP1MMP8MMP7
SCHEMBL21758201 0.67 CYP1A2 (0.55) ANPEPRNPEPDNPEP
Isobutylbenzene SCHEMBL27478984 0.65 NPC1 (0.56) MMP2MMP9MMP1MMP8MMP7
Isobutylbenzene SCHEMBL5343232 0.65 EPHX1 (0.58) ALOX5
SCHEMBL6271204 0.65 MMP1 (0.46) MMP2MMP9MMP1MMP8MMP7

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 claimed
US-6277876-B1 Matrix metalloproteinase inhibitors LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2001-08-21 US claimed
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