SCHEMBL6808353

SCHEMBL6808353

COCCOC(=O)[C@H](Cc1ccccc1)N(C(=O)CCC(C)C)[C@@H](C)C(=O)NOCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 5/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
CTSB P07858 1/20 0.36
PSMB5 P28074 1/20 0.36
LAP3 P28838 3/20 0.35
ANPEP P15144 2/20 0.35
RNPEP Q9H4A4 1/20 0.35
DNPEP Q9ULA0 1/20 0.35
MMP3 P08254 1/20 0.35

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
SCHEMBL6796432 0.89 MMP8 (0.42) CAPN1PSMB5MMP3
SCHEMBL4431934 0.76 MMP8 (0.44) LAP3ANPEPRNPEPDNPEPMMP3
SCHEMBL6808355 0.70 HDAC3 (0.36) NPC1RAB9A
SCHEMBL6808350 0.69 MMP1 (0.54) CAPN1MMP3
SCHEMBL27562114 0.66 CYP3A4 (0.58) NPC1RAB9A
SCHEMBL2309818 0.65 SLC7A5 (0.56) LAP3ANPEP
Hydrogen Sulfide SCHEMBL27582743 0.65 CYP3A4 (0.56) NPC1RAB9A
SCHEMBL2309825 0.65 SLC7A5 (0.56) LAP3ANPEP
SCHEMBL27473268 0.64 SMN1; SMN2 (0.47) CTSB
SCHEMBL7410539 0.64 LTA4H (0.58) NPC1RAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6790834-B1 Cytostatic agents BRITISH BIOTECH PHARMACEUTICALS, LTD. (GB) 2004-09-14 US disclosed
US-6462023-B1 SUCH AS 2-HYDROXY-HYDROXYCARBAMOYL-METHYL)-4-METHYL-PENTANOYLAMINE)-2-PHENYL -ETHANOIC ACID CYCLOPENTYL ESTER; INHIBITING HYPERPROLIFERATIVE TUMOURGENIC CELLS SUCH AS MELANOMA AND/OR LYMPHOMA CELLS BRITISH BIOTECH PHARMACEUTICALS, LTD. (GB) 2002-10-08 US disclosed
EP-0925278-B1 CYTOSTATIC HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARM (GB) 2002-07-17 EP disclosed
US-6169075-B1 ANTITUMOR AGENT INHIBITING THE PROLIFERATION OF A RANGE OF RAPIDLY DIVIDING TUMOUR CELLS LIKE MELANOMA AND/OR LYMPHOMA CELLS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-01-02 US disclosed
EP-0925278-A1 CYTOSTATIC HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-06-30 EP disclosed
WO-1998011063-A1 CYTOSTATIC HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-03-19 WO disclosed