SCHEMBL13637317

SCHEMBL13637317

CCCCCCCCOc1ccc(/C(=C(/CC)c2ccccc2)c2ccc(I)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 16/20 0.78
PDE1B Q01064 16/20 0.78
PDE1C Q14123 16/20 0.78
ESR1 P03372 5/20 0.66
ESR2 Q92731 1/20 0.66

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
SCHEMBL8652566 0.91 PDE1A (0.77) PDE1APDE1BPDE1CESR1ESR2
SCHEMBL8656908 0.91 PDE1A (0.77) PDE1APDE1BPDE1CESR1ESR2
SCHEMBL8654839 0.91 PDE1A (0.77) PDE1APDE1BPDE1CESR1ESR2
SCHEMBL8768184 0.90 PDE1A (0.76) PDE1APDE1BPDE1CESR1ESR2
SCHEMBL8768178 0.90 PDE1A (0.76) PDE1APDE1BPDE1CESR1ESR2
SCHEMBL8768173 0.90 PDE1A (0.76) PDE1APDE1BPDE1CESR1ESR2
SCHEMBL8767710 0.88 PDE1A (0.76) PDE1APDE1BPDE1CESR1ESR2
SCHEMBL8767689 0.88 PDE1A (0.76) PDE1APDE1BPDE1CESR1ESR2
SCHEMBL8767701 0.88 PDE1A (0.76) PDE1APDE1BPDE1CESR1ESR2
SCHEMBL8767678 0.86 PDE1A (1.00) PDE1APDE1BPDE1CESR1ESR2

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-1196163-B1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF INSULIN RESISTANCE ENDORECH INC (CA) 2009-11-11 EP disclosed