SCHEMBL6007665

SCHEMBL6007665

CCOC(=O)c1ccc2c(c1)[nH]c1cc(C(=O)OCC)ccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.70
KDM4E B2RXH2 3/20 0.70
RAB9A P51151 3/20 0.70
MAPT P10636 3/20 0.70
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
HCRTR1 O43613 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
HSD17B10 Q99714 3/20 0.60
HPGD P15428 2/20 0.60
POLB P06746 1/20 0.60
MAPK1 P28482 1/20 0.60
KIF11 P52732 1/20 0.58
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA7 P43166 2/20 0.57
CA9 Q16790 2/20 0.57
CA14 Q9ULX7 2/20 0.57
PPARG P37231 1/20 0.56

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
SCHEMBL70604 0.94 ALDH1A1 (0.81) ALDH1A1KDM4ERAB9AMAPTMEN1
SCHEMBL6009615 0.94 ALDH1A1 (0.63) ALDH1A1KDM4ERAB9AMAPTMEN1
SCHEMBL6009670 0.92 KDM4E (0.84) ALDH1A1KDM4ERAB9AMAPTMEN1
SCHEMBL4126314 0.89 ALDH1A1 (0.58) ALDH1A1KDM4ERAB9AMAPTMEN1
SCHEMBL12398077 0.87 HCRTR1 (0.78) ALDH1A1KDM4ERAB9AMAPTMEN1
SCHEMBL30686842 0.86 ALDH1A1 (0.59) ALDH1A1KDM4ERAB9AMAPTMEN1
SCHEMBL68639 0.86 KDM4E (0.85) ALDH1A1KDM4ERAB9AMAPTMEN1
SCHEMBL13271150 0.85 KDM4E (0.73) ALDH1A1KDM4ERAB9AMAPTMEN1
SCHEMBL25911102 0.85 KDM4E (0.80) ALDH1A1KDM4ERAB9AMAPTMEN1
SCHEMBL15995185 0.84 KDM4E (0.71) ALDH1A1KDM4ERAB9AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183022-A1 Electrochemical cell NEC TOKIN CORORATION (JP) 2006-08-17 US disclosed