SCHEMBL7703504

SCHEMBL7703504

CCOC(=O)C1=Cc2cccc(/C=C/C(=O)O)c2OCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PTGER4 P35408 2/20 0.35
PTGER3 P43115 2/20 0.35
PTGER2 P43116 2/20 0.35
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
PTGER1 P34995 1/20 0.34
GAA P10253 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
NFKB1 P19838 1/20 0.33
CA4 P22748 1/20 0.33
EED O75530 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
PREP P48147 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL7703505 1.00 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2PTGER4PTGER3
SCHEMBL7702054 0.91 L3MBTL1 (0.38) KDM4EALDH1A1CA12CA9CA1
SCHEMBL7702052 0.91 L3MBTL1 (0.38) KDM4EALDH1A1CA12CA9CA1
SCHEMBL7699593 0.86 LMNA (0.48) KDM4EALDH1A1GAAPREPL3MBTL1
SCHEMBL7699596 0.86 LMNA (0.48) KDM4EALDH1A1GAAPREPL3MBTL1
SCHEMBL7700639 0.86 ALDH1A1 (0.40) KDM4EALDH1A1SMN1; SMN2CA12CA9
SCHEMBL7878684 0.83 USP2 (0.41) ALDH1A1SMN1; SMN2CA12CA9GAA
SCHEMBL7385304 0.82 MAPT (0.39) KDM4EALDH1A1CA12CA9GAA
SCHEMBL7702968 0.81 TSHR (0.41) KDM4EALDH1A1SMN1; SMN2CA12CA9
SCHEMBL7699846 0.81 TSHR (0.46) KDM4EALDH1A1SMN1; SMN2CA12CA9

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