SCHEMBL10585403

SCHEMBL10585403

COc1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)C4(C)C)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.60
PDE4B Q07343 5/20 0.60
PDE4C Q08493 5/20 0.60
PDE4D Q08499 5/20 0.60
PDE3B Q13370 1/20 0.60
PDE3A Q14432 1/20 0.60
ALOX5 P09917 1/20 0.55
EPHX2 P34913 1/20 0.55
GUSB P08236 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
AURKA O14965 1/20 0.50
AURKB Q96GD4 1/20 0.50
AMY1A P0DUB6 3/20 0.47
PARP1 P09874 1/20 0.44
CHEK2 O96017 3/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL10373335 0.87 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10373624 0.82 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10372929 0.81 PDE3B (0.62) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10374221 0.81 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10373374 0.81 PDE3B (0.68) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10375588 0.81 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9677178 0.81 PDE3B (0.75) PDE4APDE4BPDE4CPDE4DPDE3B
Adibendan SCHEMBL9832050 0.80 PDE3B (0.90) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10374060 0.79 PDE3B (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
Adibendan SCHEMBL10470994 0.79 PDE3B (0.88) PDE4APDE4BPDE4CPDE4DPDE3B

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
EP-0318902-A2 Use of linear annelated tricyclics as inhibitors of erythrocyte aggregation Roche Diagnostics GmbH (DE) 1989-06-07 EP claimed