SCHEMBL6808568

SCHEMBL6808568

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
PTGS1 P23219 1/20 0.51
XIAP P98170 1/20 0.51
SLC7A5 Q01650 1/20 0.51
DAGLA Q9Y4D2 1/20 0.47
ANPEP P15144 1/20 0.47
RNPEP Q9H4A4 1/20 0.47
DNPEP Q9ULA0 1/20 0.47
SLC15A1 P46059 2/20 0.45
CTSK P43235 2/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSH P09668 1/20 0.45
LTA4H P09960 2/20 0.45
SLC6A2 P23975 2/20 0.43
TAAR1 Q96RJ0 2/20 0.43
MAOA P21397 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL6799872 1.00 ALPI (0.51) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL6808569 1.00 ALPI (0.51) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL20747639 0.88 ALPI (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL20747685 0.88 ALPI (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27131292 0.87 DAGLA (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL26977055 0.87 DAGLA (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL20747723 0.86 ALPI (0.49) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL23970077 0.85 LTA4H (0.57) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL23408873 0.85 LTA4H (0.57) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL21985749 0.83 ALPI (0.51) ALPIPKMPTGS1XIAPSLC7A5

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
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
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
CN-1230175-A Cytostatic hydroximic acid derivatives BRITISH BIOTECH PHARM (GB) 1999-09-29 CN disclosed