SCHEMBL1708047

SCHEMBL1708047

COC(=O)C[C@@H]1COc2cc(N(C(=O)C(F)(F)F)[C@@H]3COc4c3cccc4-n3c(C)nc4ccccc43)ccc21

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
FFAR1 O14842 15/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.31
PPARD Q03181 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
SCHEMBL1707935 1.00 LMNA (0.35) LMNAFFAR1SMN1; SMN2TSHRMAPK1
SCHEMBL1708117 1.00 LMNA (0.35) LMNAFFAR1SMN1; SMN2TSHRMAPK1
SCHEMBL1708024 0.93 LMNA (0.34) LMNAFFAR1SMN1; SMN2TSHR
SCHEMBL1707975 0.93 LMNA (0.34) LMNAFFAR1SMN1; SMN2TSHR
SCHEMBL1708282 0.93 FFAR1 (0.34) LMNAFFAR1SMN1; SMN2PPARD
SCHEMBL1708279 0.93 FFAR1 (0.34) LMNAFFAR1PPARD
SCHEMBL1707945 0.93 FFAR1 (0.34) LMNAFFAR1PPARD
SCHEMBL1708344 0.93 FFAR1 (0.34) LMNAFFAR1PPARD
SCHEMBL10010835 0.92 FFAR1 (0.36) FFAR1PPARD
SCHEMBL10009726 0.92 FFAR1 (0.36) FFAR1PPARD

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