SCHEMBL27735649

SCHEMBL27735649

CC(C(=O)C(C)c1ccc(OC(F)F)c(OCC2CC2)c1)c1ccc(OC(F)F)c(OCC2CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.64
PDE4A P27815 17/20 0.64
PDE4C Q08493 17/20 0.64
PDE4D Q08499 17/20 0.64
ABCB11 O95342 1/20 0.50

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
SCHEMBL832576 0.86 PDE4B (0.61) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL23717240 0.85 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL27756254 0.83 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL16409548 0.82 PDE4B (0.57) PDE4BPDE4APDE4CPDE4D
SCHEMBL28168416 0.81 PDE4B (0.58) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL16411001 0.81 PDE4B (0.55) PDE4BPDE4APDE4CPDE4D
SCHEMBL27802861 0.81 NPC1 (0.45) PDE4BPDE4APDE4CPDE4D
SCHEMBL1143632 0.80 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL132715 0.80 PDE4B (0.74) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL1143518 0.79 PDE4B (0.57) PDE4BPDE4APDE4CPDE4DABCB11

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
CN-101374844-A Pyrrolopyridazinone compound UBE INDUSTRIES (JP) 2009-02-25 CN disclosed