SCHEMBL1439733

SCHEMBL1439733

[CH2]COC(=O)OC1CCCCCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.44
HTT P42858 1/20 0.43
CYP2C19 P33261 1/20 0.42
NAAA Q02083 2/20 0.41
CYP19A1 P11511 4/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
MMP9 P14780 2/20 0.33
MMP12 P39900 2/20 0.33
MMP1 P03956 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
FABP7 O15540 1/20 0.33
FABP5 Q01469 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP2 P08253 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
SCHEMBL188404 1.00 EPHX1 (0.44) EPHX1HTTCYP2C19NAAACYP19A1
SCHEMBL695835 0.98 EPHX1 (0.41) EPHX1HTTCYP2C19NAAACYP19A1
SCHEMBL697833 0.94 EPHX1 (0.37) EPHX1HTTCYP2C19NAAACYP19A1
SCHEMBL9034845 0.89
SCHEMBL8579936 0.84 EPHX1 (0.42) EPHX1HTTCYP2C19NAAACYP19A1
SCHEMBL1559459 0.84 EPHX1 (0.42) EPHX1HTTCYP2C19NAAACYP19A1
SCHEMBL5245472 0.82 EPHX1 (0.39) EPHX1HTTCYP2C19NAAACYP19A1
SCHEMBL2901152 0.81 NAAA (0.40) EPHX1HTTCYP2C19NAAACYP19A1
SCHEMBL6007716 0.81 EPHX1 (0.46) EPHX1HTTCYP2C19NAAACYP19A1
SCHEMBL6007723 0.81 EPHX1 (0.46) EPHX1HTTCYP2C19NAAACYP19A1

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
WO-2008065408-A9 MODULATION OF PROSTAGLANDIN/CYCLOOXYGENASE METABOLIC PATHWAYS HUNTER-FLEMING LIMITED (GB) 2011-03-03 WO disclosed
EP-2097079-A2 MODULATION OF PROSTAGLANDIN/CYCLOOXYGENASE METABOLIC PATHWAYS Hunter-Fleming Limited (GB) 2009-09-09 EP disclosed
WO-2008065408-A2 MODULATION OF PROSTAGLANDIN/CYCLOOXYGENASE METABOLIC PATHWAYS HUNTER-FLEMING LIMITED (GB) 2008-06-05 WO disclosed
EP-1848426-A2 TRICYCLIC CYTOPROTECTIVE COMPOUNDS Hunter-Fleming Limited (GB) 2007-10-31 EP disclosed
WO-2006082409-A2 TRICYCLIC CYTOPROTECTIVE COMPOUNDS HUNTER-FLEMING LIMITED (GB) 2006-08-10 WO disclosed
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP disclosed