SCHEMBL1708692

SCHEMBL1708692

CCCN(c1ccc(C)nc1)c1cccc2c1OC[C@H]2N(C(=O)C(F)(F)F)c1ccc2c(c1)OC[C@H]2C(C)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LTC4S Q16873 2/20 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
SCHEMBL1707988 0.93 LTC4S (0.31) LTC4S
SCHEMBL1708207 0.88
SCHEMBL1708218 0.88
SCHEMBL10010730 0.87 FFAR1 (0.37)
SCHEMBL1708578 0.85 KDM6B (0.32)
SCHEMBL1707801 0.84
SCHEMBL1707702 0.81 LTB4R (0.30)
SCHEMBL1708570 0.81 LTB4R (0.30)
SCHEMBL10009012 0.80 PPARD (0.36)
SCHEMBL10010698 0.79 PPARD (0.34)

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