SCHEMBL8084640

SCHEMBL8084640

COC(=O)CC(CCCc1ccccc1)(OC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 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
HPGD P15428 1/20 0.40
CES1 P23141 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL8085465 0.88 LMNA (0.47) POLBPTPRCPTPN2PTPN1PTPRB
SCHEMBL8077433 0.85 CES1 (0.43) POLBPTPRCPTPN2PTPN1PTPRB
SCHEMBL8084677 0.83 MAPT (0.49) POLBCES1HDAC3HDAC1HDAC2
SCHEMBL4956054 0.74 CA12 (0.50) POLBCA12CA7CA9CA14
SCHEMBL27291867 0.73 MMP1 (0.46) POLBCES1HDAC1HDAC2MMP1
SCHEMBL162806 0.73 HDAC1 (0.62) CA12CA7CA9CA14HPGD
SCHEMBL24137647 0.73 CA12 (0.46) POLBCA12CA7CA9CA14
SCHEMBL24137653 0.73 CA12 (0.46) POLBCA12CA7CA9CA14
SCHEMBL6823355 0.72 NAAA (0.45) POLBCA12CA7CA9CA14
SCHEMBL8089063 0.72 MAPT (0.43) POLBCA12CA7CA9CA14

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