SCHEMBL7006368

SCHEMBL7006368

CC(C)COc1c2cc(Cl)c(Cl)c(=O)c-2cn(CC(C)(C)C)c1N(C)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.32
ADRA1D P25100 1/20 0.31

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
SCHEMBL7006211 0.78 THRA (0.32)
SCHEMBL7555501 0.78 GPR35 (0.36) PTGS1ADRA1D
SCHEMBL5232706 0.73 PTGS1 (0.32) PTGS1
SCHEMBL7007555 0.72 FFAR4 (0.34)
SCHEMBL7554822 0.65 FFAR4 (0.32)
SCHEMBL7006105 0.65 SLC6A5 (0.33)
SCHEMBL7004682 0.64 SLC6A5 (0.32)
SCHEMBL7556806 0.63 BAZ2B (0.38) ADRA1D
SCHEMBL7592050 0.63 THRA (0.36)
SCHEMBL7554918 0.63 SLC6A5 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355886-A1 FUSED HETEROCYCLIC COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP disclosed
WO-2002062764-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-15 WO disclosed