SCHEMBL7702052

SCHEMBL7702052

CCOC(=O)/C=C/c1cccc2c1OCCC(C(=O)OCC)=C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CNKSR1 Q969H4 2/20 0.36
AKT1 P31749 1/20 0.36
CYP3A4 P08684 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX5 P09917 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL7702054 1.00 L3MBTL1 (0.38) L3MBTL1CA12CA1CA2CA7
SCHEMBL7703504 0.91 KDM4E (0.47) L3MBTL1CA12CA1CA2CA7
SCHEMBL7703505 0.91 KDM4E (0.47) L3MBTL1CA12CA1CA2CA7
SCHEMBL7699596 0.91 LMNA (0.48) L3MBTL1CNKSR1AKT1CYP3A4KDM4E
SCHEMBL7699593 0.91 LMNA (0.48) L3MBTL1CNKSR1AKT1CYP3A4KDM4E
SCHEMBL7700639 0.86 ALDH1A1 (0.40) CA12CA1CA2CA7CA9
SCHEMBL7878684 0.83 USP2 (0.41) L3MBTL1CA12CA1CA2CA7
SCHEMBL7385304 0.82 MAPT (0.39) L3MBTL1CA12CA1CA2CA7
SCHEMBL7699846 0.81 TSHR (0.46) L3MBTL1CA12CA1CA2CA7
SCHEMBL7696668 0.81 CA12 (0.48) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6346527-B1 1-BENZOXEPIN DERIVATIVES USED IN THE PREVENTION OF SODIUM AND HYDROGEN ION EXCHANGE; CARDIOVASCULAR, KIDNEY AND BRAIN DISORDER TREATMENT; ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-12 US disclosed
EP-1073650-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-07 EP disclosed
WO-1999055690-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-04 WO disclosed