SCHEMBL6801557

SCHEMBL6801557

CC(CCC=CCCC(=O)O)CC(=O)NCC(C(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
MAPT P10636 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
LTA4H P09960 1/20 0.33
BCHE P06276 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
NPSR1 Q6W5P4 3/20 0.33
MAPK1 P28482 2/20 0.33
RECQL P46063 2/20 0.33
POLB P06746 2/20 0.33
TBXA2R P21731 1/20 0.33

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
SCHEMBL6804678 0.88 L3MBTL1 (0.39) L3MBTL1CTSSCTSKMAPTALDH1A1
SCHEMBL6803688 0.84 HPGD (0.38) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL7654837 0.82 MMP2 (0.40) HPGDMEN1KMT2ALMNALTA4H
SCHEMBL27497020 0.82 L3MBTL1 (0.39) L3MBTL1CTSSCTSKMAPTALDH1A1
SCHEMBL8388361 0.76 HPGD (0.38) L3MBTL1ALDH1A1HPGDNPSR1POLB
SCHEMBL6801572 0.71 MMP2 (0.37) MEN1KMT2ALMNALTA4HBCHE
SCHEMBL27663392 0.70 MAPT (0.45) L3MBTL1CTSSCTSKMAPTALDH1A1
SCHEMBL8011431 0.70 MAPT (0.45) L3MBTL1CTSSCTSKMAPTALDH1A1
SCHEMBL6803235 0.69 HDAC3 (0.37) ALDH1A1HPGDBCHEKDM4EHSD17B10
SCHEMBL27406072 0.68 SYK (0.52) CTSSCTSKMAPTKMT2ALMNA

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