SCHEMBL5795441

SCHEMBL5795441

COc1cccc2c1Oc1ccccc1O2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.50
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA7 P43166 3/20 0.48
CA9 Q16790 3/20 0.48
CA12 O43570 2/20 0.48
CA14 Q9ULX7 2/20 0.48
CA4 P22748 1/20 0.48
ALDH1A1 P00352 3/20 0.40
TP53 P04637 2/20 0.40
TSHR P16473 1/20 0.40
ADRA2B P18089 1/20 0.40
PTGS1 P23219 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL30786817 0.94
SCHEMBL28840933 0.94
SCHEMBL5798636 0.83 KDM4E (0.41) AHRALDH1A1TSHRADRA2BPTGS1
SCHEMBL29212727 0.83 AHR (0.54) AHRMAPK1KDM4E
SCHEMBL15759795 0.80 APP (0.46) CA1CA2CA7CA9CA12
SCHEMBL22808219 0.79 MAPT (0.40) AHRALDH1A1TP53MAPK1HPGD
SCHEMBL5798976 0.77 HTT (0.47) ALDH1A1TDP1MAPK1HPGDLMNA
SCHEMBL5796814 0.77 HTT (0.47) ALDH1A1TDP1MAPK1HPGDLMNA
SCHEMBL11534342 0.76 ALOX5 (0.53) CA1CA2CA7CA9CA12
SCHEMBL5758407 0.76 MAOB (0.53) CA1CA2CA7CA9CA12

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
WO-2006040650-A1 4-METHOXYACRIDINE-1-CARBOXAMIDE DERIVATIVES AND THE PHENAZINE AND OXANTHRENE ANALOGS AS PDE4-INHIBITORS FOR THE TREATMENT OF ASTHMA AND CHRONIC PULMONARY DISEASE (COPD) GLENMARK PHARMACEUTICALS S.A. (US) 2006-04-20 WO disclosed