SCHEMBL6535979

SCHEMBL6535979

COc1cc(-c2ccccc2)c(OC)c(O)c1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.63
PDE4A P27815 5/20 0.63
PDE4C Q08493 5/20 0.63
PDE4D Q08499 5/20 0.63
MGAM O43451 8/20 0.57
GAA P10253 8/20 0.57
SI P14410 8/20 0.57
MGAM2 Q2M2H8 8/20 0.57
HTT P42858 1/20 0.48
HK2 P52789 1/20 0.48
BACE1 P56817 1/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45

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
SCHEMBL205626 0.83 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DMGAM
SCHEMBL29814561 0.80 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DMGAM
SCHEMBL29814564 0.80 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DMGAM
SCHEMBL13732796 0.79 FYN (0.50) PDE4BPDE4APDE4CPDE4DMGAM
SCHEMBL29034612 0.78 MEN1 (0.53) PDE4BPDE4APDE4CPDE4DHTT
SCHEMBL3686460 0.77 BACE1 (0.62) PDE4BPDE4APDE4CPDE4DMGAM
SCHEMBL10601269 0.76 SQOR (0.49) PDE4BPDE4APDE4CPDE4DMGAM
SCHEMBL10536048 0.76 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DMGAM
SCHEMBL28243133 0.76 PDE4B (0.70) PDE4BPDE4APDE4CPDE4DMGAM
SCHEMBL24049723 0.76 PGR (0.56) PDE4BPDE4APDE4CPDE4DGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425015-A4 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-12-15 EP claimed
EP-1425015-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-09 EP claimed
WO-2003015715-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-27 WO claimed
EP-1425015-A4 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-12-15 EP disclosed
EP-1425015-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-09 EP disclosed
WO-2003015715-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-27 WO disclosed