SCHEMBL7067048

SCHEMBL7067048

CC(CC(O)(CC(N)=O)C(=O)NC(Cc1ccccc1)C(=S)NCCCc1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.43
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
CNR1 P21554 1/20 0.39
KDM4A O75164 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL7069861 0.87 POLB (0.42) EPHX2CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL7068109 0.74 EPHX2 (0.47) EPHX2CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL7068112 0.74 EPHX2 (0.47) EPHX2CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL7982631 0.71 EPHX2 (0.48) EPHX2CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL7067645 0.69 CTSG (0.56) SMN1; SMN2
SCHEMBL7067649 0.69 CTSG (0.56) SMN1; SMN2
SCHEMBL7982892 0.68 ACE (0.52) CYP2D6CYP2C9CYP2C19KMT2AMMP1
SCHEMBL7982890 0.68 ACE (0.52) CYP2D6CYP2C9CYP2C19KMT2AMMP1
SCHEMBL7068105 0.68 EPHX2 (0.47) EPHX2CNR1KDM4ANPC1RAB9A
SCHEMBL7067053 0.67 CNR1 (0.42) EPHX2CYP2D6CYP2C9CYP2C19KMT2A

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-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