SCHEMBL4768504

SCHEMBL4768504

COc1cccc2oc(C(=O)NC(CC(C)C)C(=O)N([C@H]3CCCNCC3=O)S(=O)(=O)C3=NC=CCC3=O)c(C)c12

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.33
MMP13 P45452 1/20 0.33
EDNRA P25101 1/20 0.32
NMT1 P30419 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31

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
SCHEMBL4763006 0.89 NPC1 (0.36)
SCHEMBL6588766 0.87 CTSK (0.32) CTSLCTSBCTSS
SCHEMBL6590220 0.86 RAB9A (0.38)
SCHEMBL4766746 0.84 CAPN1 (0.34) MMP2MMP13
SCHEMBL4763320 0.81 CTSL (0.37) CTSLCTSBCTSS
SCHEMBL7422805 0.80 POLB (0.35)
SCHEMBL4767192 0.79 TAS1R3 (0.44)
SCHEMBL4764901 0.78 MAPT (0.43)
SCHEMBL4764900 0.78 MAPT (0.43)
SCHEMBL4768775 0.78 GRN (0.45) CTSLCTSBCTSS

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-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed