SCHEMBL6932897

SCHEMBL6932897

CCOC(=O)c1c(C(=O)O)c(O)c2ccccc2c1O.CCOC(=O)c1c(C(=O)O)c(OCC)c2ccccc2c1OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 8/20 0.49
RECQL P46063 1/20 0.48
GAA P10253 5/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPK1 P28482 1/20 0.47
MCL1 Q07820 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
LMNA P02545 4/20 0.44

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
SCHEMBL3571825 0.97 KDM4E (0.52) KDM4EALDH1A1RECQLGAAHPGD
SCHEMBL1590061 0.93 ALDH1A1 (0.55) KDM4EALDH1A1RECQLGAAHPGD
SCHEMBL3564213 0.92 KDM4E (0.50) KDM4EALDH1A1RECQLGAAHPGD
SCHEMBL11967633 0.90 CASP3 (0.44) KDM4EALDH1A1RECQLGAAHPGD
SCHEMBL3561171 0.89 KDM4E (0.59) KDM4EALDH1A1RECQLGAAHPGD
SCHEMBL2253345 0.86 CA12 (0.55) KDM4EALDH1A1RECQLGAAHPGD
SCHEMBL1590089 0.84 ALDH1A1 (0.51) KDM4EALDH1A1RECQLGAAHPGD
SCHEMBL3561086 0.83 KDM4E (0.49) KDM4EALDH1A1RECQLGAAHPGD
SCHEMBL3560451 0.83 ALDH1A1 (0.44) KDM4EALDH1A1RECQLGAAHPGD
SCHEMBL2299912 0.83 PTGER4 (0.47) KDM4EALDH1A1RECQLGAAHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368312-A1 BENZO'F!ISOINDOLE DERIVATIVES WITH AFFINITY TO THE EP4 RECEPTOR GLAXO GROUP LIMITED (GB) 2003-12-10 EP disclosed
WO-2002064564-A1 BENZO'F!ISOINDOLE DERIVATIVES WITH AFFINITY TO THE EP4 RECEPTOR GLAXO GROUP LIMITED (GB) 2002-08-22 WO disclosed