SCHEMBL8967035

SCHEMBL8967035

COc1cccc2c(OC)c(C(=O)O)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.56
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 4/20 0.54
HPGD P15428 4/20 0.54
HSD17B10 Q99714 1/20 0.54
MAPT P10636 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CYP2C9 P11712 1/20 0.49
HIF1A Q16665 1/20 0.49
PLK1 P53350 1/20 0.47
HTT P42858 2/20 0.47
HPGDS O60760 1/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 2/20 0.46

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
SCHEMBL9504326 0.86 CDC25B (0.50) CDC25BALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9679999 0.86 TDP1 (0.55) CDC25BALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8966935 0.83 CDC25B (0.56) CDC25BALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4103770 0.82 CDC25B (0.68) CDC25BALDH1A1KDM4EHPGDHSD17B10
SCHEMBL976330 0.81 KDM4E (0.57) CDC25BALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8967454 0.81 LMNA (0.46) CDC25BALDH1A1KDM4EHPGDHSD17B10
SCHEMBL152563 0.80 MAPT (0.59) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL29603325 0.80 MAPT (0.59) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL8460917 0.80 CDC25B (0.52) CDC25BALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8461417 0.80 CDC25B (0.52) CDC25BALDH1A1KDM4EHPGDHSD17B10

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
EP-0585116-B1 1-Alkoxy-naphthalene-2-carboxamide derivatives with high affinity for the serotonin 5-HT1A receptor LILLY INDUSTRIES LTD (GB) 1996-02-28 EP disclosed
US-5389684-A Treats disorder of central nervous system LILLY INDUSTRIES LIMITED (GB) 1995-02-14 US disclosed
EP-0585116-A1 1-Alkoxy-naphthalene-2-carboxamide derivatives with high affinity for the serotonin 5-HT1A receptor LILLY INDUSTRIES LIMITED (GB) 1994-03-02 EP disclosed