SCHEMBL7830000

SCHEMBL7830000

COC(=O)CC(=O)c1cc(C(=O)OC)cc(-n2cccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC2 O75106 2/20 0.40
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 5/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
NFKB1 P19838 1/20 0.38
XDH P47989 1/20 0.38
GFER P55789 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL2357788 0.87 CA12 (0.48) AOC2ALDH1A1KDM4ECA12CA1
SCHEMBL7828377 0.84 CA12 (0.48) AOC2ALDH1A1KDM4ECA12CA1
SCHEMBL7823742 0.81 CA12 (0.43) AOC2ALDH1A1KDM4ECA12CA1
SCHEMBL7815973 0.81 TSHR (0.44) AOC2ALDH1A1KDM4ECA12CA1
SCHEMBL7827674 0.78 ALDH1A1 (0.45) AOC2ALDH1A1KDM4ECA12CA1
SCHEMBL7822637 0.78 CYP4F2 (0.44) AOC2ALDH1A1KDM4ECA12CA1
SCHEMBL7830993 0.78 L3MBTL1 (0.40) AOC2ALDH1A1KDM4ECA12CA1
SCHEMBL7826272 0.77 AOC2 (0.43) AOC2ALDH1A1KDM4ECA12CA1
SCHEMBL7830156 0.77 CA12 (0.42) AOC2ALDH1A1KDM4ECA12CA1
SCHEMBL7816813 0.76 SMN1; SMN2 (0.44) AOC2ALDH1A1KDM4ESMN1; SMN2LMNA

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-0699185-B1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US disclosed
EP-0699185-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-03-06 EP disclosed
WO-1994026709-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+/H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 WO disclosed