SCHEMBL1708570

SCHEMBL1708570

CC(C(=O)O)[C@@H]1COc2cc(N(C(=O)C(F)(F)F)[C@@H]3COc4c(Br)cccc43)ccc21

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.30
LTB4R2 Q9NPC1 1/20 0.30

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
SCHEMBL1707702 1.00 LTB4R (0.30) LTB4RLTB4R2
SCHEMBL1708097 0.87 S1PR1 (0.33)
SCHEMBL1708578 0.86 KDM6B (0.32) LTB4RLTB4R2
SCHEMBL1708193 0.84
SCHEMBL1707704 0.84
SCHEMBL1707739 0.84
SCHEMBL1708575 0.84 KDM4E (0.31)
SCHEMBL10010372 0.83 FFAR1 (0.43)
SCHEMBL10011621 0.83 FFAR1 (0.43)
SCHEMBL3724253 0.83 FFAR1 (0.43)

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-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed