SCHEMBL7069865

SCHEMBL7069865

NC(=O)C[C@@H](CCc1ccccc1)C(=O)N(O)[C@@H](Cc1ccccc1)C(=S)NCCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
MMP8 P22894 3/20 0.41
KMT2A Q03164 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.38
EPHX2 P34913 1/20 0.38
THRB P10828 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL7067062 0.89 MMP8 (0.43) CNR1MMP8KMT2ACYP2D6CYP2C9
SCHEMBL7067053 0.87 CNR1 (0.42) CNR1MMP8KMT2ACYP2D6CYP2C9
SCHEMBL7068205 0.78 MMP3 (0.47) KMT2AEPHX2
SCHEMBL7066782 0.76 MMP2 (0.46) CNR1KMT2AEPHX2
SCHEMBL7070491 0.74 MMP2 (0.42) MMP8
SCHEMBL8399907 0.71 MMP2 (0.55)
SCHEMBL7982632 0.70 MMP1 (0.49) MMP8L3MBTL1HPGDGAA
SCHEMBL27522992 0.70 MMP1 (0.49) MMP8L3MBTL1HPGDGAA
SCHEMBL2132481 0.68 GRIK1 (0.51)
SCHEMBL7360868 0.65 GRIK1 (0.56) MMP8KMT2AHPGDLMNAMAPT

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