SCHEMBL10950776

SCHEMBL10950776

COc1ccc(C(=O)c2[nH]c(=O)[nH]c2CO[N+](=O)OCc2[nH]c(=O)[nH]c2C(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 3/20 0.45
▸ PDE3A Q14432 3/20 0.45
▸ PDE4A P27815 7/20 0.40
▸ PDE4B Q07343 7/20 0.40
▸ PDE4C Q08493 7/20 0.40
▸ PDE4D Q08499 7/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ALOX15 P16050 1/20 0.40

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
SCHEMBL10950769 0.90 PDE3B (0.43) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10877366 0.87 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10877977 0.83 PDE3B (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10877786 0.82 PDE3B (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10876859 0.82 PDE3B (0.65) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10875411 0.82 PDE3B (0.45) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10880137 0.81 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10875135 0.81 PDE3B (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10875726 0.79 PDE3B (0.45) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10877206 0.79 NPC1 (0.50) PDE3BPDE3ARAB9ALMNAMAPT

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
US-4526981-A [1,2-Dihydro-4(5)-acyl-2-oxo-2H-imidazol-4(5)-yl] methyl nitrates MERRELL DOW PHARMACEUTICALS INC. (US) 1985-07-02 — — US disclosed
Send feedback