SCHEMBL9504326

SCHEMBL9504326

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.50
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP2C9 P11712 1/20 0.44
HIF1A Q16665 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MAPT P10636 3/20 0.43
GAA P10253 3/20 0.43
PLK1 P53350 1/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGDS O60760 1/20 0.41

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
SCHEMBL8967035 0.86 CDC25B (0.56) CDC25BALDH1A1KDM4EHPGDHSD17B10
SCHEMBL28112142 0.83 HTT (0.51) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL27883374 0.79 MAPT (0.57) CDC25BALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8966935 0.77 CDC25B (0.56) CDC25BALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1818841 0.77 IRAK4 (0.54) ALDH1A1KDM4EHPGDHSD17B10CA1
SCHEMBL4103770 0.76 CDC25B (0.68) CDC25BALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9504621 0.76 WDR5 (0.54) CDC25BALDH1A1KDM4EHPGDCYP2C9
SCHEMBL27840740 0.76 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL19612390 0.75 SLC6A4 (0.39) ALDH1A1KDM4ECYP2C9CA12CA1
SCHEMBL8967454 0.75 LMNA (0.46) 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-0279466-B1 NOVEL NAPHTHALENE DERIVATIVES AND ANTIALLERGY AND ANTI-INFLAMMATORY PHARMACEUTICALS WARNER-LAMBERT COMPANY (US) 1993-05-19 EP disclosed
US-4767776-A N-1H-tetrazol-5-yl-2-naphthalene carboxamides and their use as antiallergy and antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1988-08-30 US disclosed
EP-0279466-A2 Novel naphthalene derivatives and antiallergy and anti-inflammatory pharmaceuticals WARNER-LAMBERT COMPANY (US) 1988-08-24 EP disclosed