SCHEMBL8772827

SCHEMBL8772827

C=CCOc1cc(C(=O)OC)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
XDH P47989 1/20 0.56
KDM4E B2RXH2 3/20 0.55
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TP53 P04637 2/20 0.50
HPGD P15428 2/20 0.50
ALOX15 P16050 2/20 0.50
ALOX12 P18054 2/20 0.50
HSD17B10 Q99714 2/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL3547607 0.87 KDM4E (0.72) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL9479071 0.87 KDM4E (0.53) CA12CA1CA2CA7CA9
SCHEMBL19125971 0.87 KDM4E (0.64) CA12CA1CA2CA7CA9
SCHEMBL5229400 0.85 KDM4E (0.52) CA12CA1CA2CA7CA9
SCHEMBL22032196 0.85 KDM4E (0.52) CA12CA1CA2CA7CA9
SCHEMBL5917927 0.85 KDM4E (0.52) CA12CA1CA2CA7CA9
SCHEMBL2533462 0.85 KDM4E (0.52) CA12CA1CA2CA7CA9
SCHEMBL31321821 0.85 KDM4E (0.52) CA12CA1CA2CA7CA9
SCHEMBL6580057 0.85 HSD17B2 (0.67) CA12CA1CA2CA7CA9
SCHEMBL5152770 0.85 KDM4E (0.59) CA12CA1CA2CA7CA9

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-5691349-A ANTICHOLESTEROL AGENTS; ATHEROSCLEROSIS ZENECA LIMITED (GB) 1997-11-25 US disclosed
EP-0654032-B1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LTD (GB) 1997-10-15 EP disclosed
EP-0654032-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS. ZENECA LTD (GB) 1995-05-24 EP disclosed
WO-1994003451-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-02-17 WO disclosed