SCHEMBL10877977

SCHEMBL10877977

COc1ccc(C(=O)c2[nH]c(=O)[nH]c2COC(C)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 2/20 0.46
▸ PDE3A Q14432 2/20 0.46
▸ ESR2 Q92731 1/20 0.44
▸ RAB9A P51151 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ PDE4A P27815 5/20 0.41
▸ PDE4B Q07343 5/20 0.41
▸ PDE4C Q08493 5/20 0.41
▸ PDE4D Q08499 5/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MMP9 P14780 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
SCHEMBL10877366 0.88 PDE3B (0.49) PDE3BPDE3AESR2RAB9ANPC1
SCHEMBL10875135 0.87 PDE3B (0.47) PDE3BPDE3AESR2RAB9ANPC1
SCHEMBL10875726 0.85 PDE3B (0.45) PDE3BPDE3AESR2RAB9ANPC1
SCHEMBL10877206 0.85 NPC1 (0.50) PDE3BPDE3AESR2RAB9ANPC1
SCHEMBL10877786 0.83 PDE3B (0.50) PDE3BPDE3ARAB9APDE4APDE4B
SCHEMBL10876859 0.83 PDE3B (0.65) PDE3BPDE3ARAB9APDE4APDE4B
SCHEMBL10950776 0.83 PDE3B (0.45) PDE3BPDE3AESR2RAB9ANPC1
SCHEMBL10875411 0.83 PDE3B (0.45) PDE3BPDE3AESR2RAB9ANPC1
SCHEMBL10880137 0.82 PDE3B (0.49) PDE3BPDE3ARAB9APDE4APDE4B
SCHEMBL10950769 0.81 PDE3B (0.43) PDE3BPDE3AESR2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0065165-B1 5-OXYMETHYL-4-ACYL-1,3-DIHYDRO-2H-IMIDAZOL-2-ONES MERRELL DOW PHARMACEUTICALS INC. (US) 1986-06-18 — — EP claimed
EP-0065165-B1 5-OXYMETHYL-4-ACYL-1,3-DIHYDRO-2H-IMIDAZOL-2-ONES MERRELL DOW PHARMACEUTICALS INC. (US) 1986-06-18 — — EP disclosed
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
EP-0065165-A1 5-Oxymethyl-4-acyl-1,3-dihydro-2H-imidazol-2-ones MERRELL DOW PHARMACEUTICALS INC. (US) 1982-11-24 — — EP disclosed
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