SCHEMBL10879024

SCHEMBL10879024

COc1ccc(C(=O)c2[nH]c(=O)[nH]c2C(C)OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ CA1 P00915 4/20 0.42
▸ CA2 P00918 4/20 0.42
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ BRD4 O60885 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
SCHEMBL10876608 0.86 NPSR1 (0.46) NPSR1HPGDKMT2ALMNAMEN1
SCHEMBL10875413 0.83 PDE3B (0.55) NPSR1HPGDKMT2ALMNAMEN1
SCHEMBL8207668 0.78 PDE4A (0.63) NPSR1HPGDKMT2ALMNAMEN1
SCHEMBL10875411 0.75 PDE3B (0.45) NPSR1HPGDKMT2ALMNAMEN1
SCHEMBL10876859 0.74 PDE3B (0.65) NPSR1HPGDKMT2ALMNAMEN1
SCHEMBL10877786 0.74 PDE3B (0.50) NPSR1HPGDKMT2ALMNAMEN1
SCHEMBL10880137 0.73 PDE3B (0.49) NPSR1HPGDKMT2ALMNAMEN1
SCHEMBL10877366 0.73 PDE3B (0.49) NPSR1HPGDKMT2ALMNAMEN1
SCHEMBL10915809 0.71 PDE3B (0.47) NPSR1HPGDKMT2ALMNAMEN1
SCHEMBL10915560 0.71 PDE3B (0.47) NPSR1HPGDKMT2ALMNAMEN1

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 3 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 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
Send feedback