SCHEMBL1708686

SCHEMBL1708686

CCOc1nc2ccc(F)c(F)c2n1-c1cccc2c1OC[C@H]2Nc1ccc2c(c1)CO[C@H]2CC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32

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
SCHEMBL1708700 0.89 FFAR1 (0.33) FFAR1
SCHEMBL1708685 0.89 FFAR1 (0.32) FFAR1
SCHEMBL1708683 0.87 FFAR1 (0.39) FFAR1PTGDR2
SCHEMBL1708705 0.87 FFAR1 (0.34) FFAR1
SCHEMBL1708701 0.85 FFAR1 (0.32) FFAR1
SCHEMBL1708385 0.82 FFAR1 (0.33) FFAR1PTGDR2
SCHEMBL1708684 0.81 ALDH1A1 (0.33)
SCHEMBL1708387 0.81 ALDH1A1 (0.32)
SCHEMBL1708723 0.80 FFAR1 (0.32) FFAR1
SCHEMBL1708682 0.80 BMI1 (0.32) FFAR1

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-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed