SCHEMBL8077433

SCHEMBL8077433

COC(=O)CC(CCCCCc1ccccc1)(OC)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 7/20 0.43
DAGLA Q9Y4D2 1/20 0.43
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
PTPRC P08575 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPRB P23467 1/20 0.41
PTPRG P23470 1/20 0.41
ACP1 P24666 1/20 0.41
HDAC1 Q13547 2/20 0.41
ALOX5 P09917 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL8084640 0.85 POLB (0.42) CES1MMP1MMP2MMP3PDE4A
SCHEMBL8089063 0.83 MAPT (0.43) CES1MAPTRXFP1MMP1MMP2
SCHEMBL8084677 0.80 MAPT (0.49) CES1MAPTRXFP1MMP1MMP2
SCHEMBL27291867 0.78 MMP1 (0.46) CES1MAPTRXFP1MMP1MMP2
SCHEMBL6372112 0.77 LTB4R (0.52) CES1MAPTRXFP1MMP1MMP2
SCHEMBL7619978 0.76 POLB (0.48) CES1MAPTRXFP1PTPRCPTPN2
SCHEMBL6823355 0.75 NAAA (0.45) MAPTRXFP1MMP1MMP2MMP3
SCHEMBL8662111 0.74 MAPT (0.65) CES1MAPTRXFP1HDAC1ALOX5
SCHEMBL9764517 0.74 MAPT (0.65) CES1MAPTRXFP1HDAC1ALOX5
SCHEMBL9404041 0.74 MAPT (0.65) CES1MAPTRXFP1HDAC1ALOX5

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
EP-0835240-B1 MATRIX METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2000-11-02 EP disclosed
US-5917090-A INHIBIT TUMOR NECROSIS FACTOR; ANTIARTHRITIC AGENTS BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 1999-06-29 US disclosed
EP-0835240-A1 MATRIX METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-04-15 EP disclosed
WO-1997002239-A1 MATRIX METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-01-23 WO disclosed