SCHEMBL1708573

SCHEMBL1708573

COc1ccc(N)c(Nc2cccc3c2OC[C@H]3N(C(=O)C(F)(F)F)c2ccc3c(c2)OC[C@H]3C(C)C(=O)O)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.33
LTB4R2 Q9NPC1 2/20 0.33
FFAR1 O14842 1/20 0.32
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 2/20 0.31
TP53 P04637 1/20 0.30
MAPK14 Q16539 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
SCHEMBL1708527 0.92 HDAC1 (0.30)
SCHEMBL1708574 0.92 HDAC1 (0.30)
SCHEMBL1708311 0.92 HDAC1 (0.30)
SCHEMBL1708193 0.92
SCHEMBL1707739 0.92
SCHEMBL1707704 0.92
SCHEMBL1708263 0.90
SCHEMBL1708308 0.89 AKR1C3 (0.41) LTB4RLTB4R2FFAR1MAPTALDH1A1
SCHEMBL1708177 0.88
SCHEMBL10009366 0.87 FFAR1 (0.39) 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