SCHEMBL6808419

SCHEMBL6808419

C=CCCC(CC(C)C)C(=O)N(C(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
REN P00797 3/20 0.39
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
BIRC2 Q13490 1/20 0.37
ANPEP P15144 1/20 0.37
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP3 P08254 2/20 0.36

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
SCHEMBL6802521 0.92 REN (0.36) NPSR1PSEN1PSEN2APH1BNCSTN
SCHEMBL6804207 0.92 REN (0.36) NPSR1PSEN1PSEN2APH1BNCSTN
SCHEMBL6803242 0.88 NPSR1 (0.43) NPSR1CA12CA2CA7CA9
SCHEMBL4423319 0.86 MMP2 (0.40) NPSR1PSEN1PSEN2APH1BNCSTN
SCHEMBL4428169 0.86 NPSR1 (0.43) NPSR1CA12CA2CA7CA9
SCHEMBL6804726 0.80 HSD17B10 (0.39) NPSR1MMP1MMP2MMP3
SCHEMBL6798658 0.80 ALOX5 (0.38) NPSR1CA12CA2CA7CA9
SCHEMBL7609380 0.79 ITGA4 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17137969 0.79 ITGA4 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13163803 0.79 ITGA4 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A

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