Sugi Predict

Sugi Predict / Compounds / SCHEMBL1708282

SCHEMBL1708282

SCHEMBL1708282

COC(=O)C[C@@H]1COc2cc(N(C(=O)C(F)(F)F)C3COc4c3cccc4-n3c(C)nc4cc(C)ccc43)ccc21

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 15/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ PPARG P37231 2/20 0.32
▸ PPARD Q03181 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
SCHEMBL1708117 0.93 LMNA (0.35) FFAR1SMN1; SMN2LMNAPPARD
SCHEMBL1708047 0.93 LMNA (0.35) FFAR1SMN1; SMN2LMNAPPARD
SCHEMBL1707935 0.93 LMNA (0.35) FFAR1SMN1; SMN2LMNAPPARD
SCHEMBL10010099 0.92 FFAR1 (0.38) FFAR1PPARGPPARD
SCHEMBL1707945 0.90 FFAR1 (0.34) FFAR1LMNAPPARD
SCHEMBL1708279 0.90 FFAR1 (0.34) FFAR1LMNAPPARD
SCHEMBL1708344 0.90 FFAR1 (0.34) FFAR1LMNAPPARD
SCHEMBL1708024 0.86 LMNA (0.34) FFAR1SMN1; SMN2LMNA
SCHEMBL1707975 0.86 LMNA (0.34) FFAR1SMN1; SMN2LMNA
SCHEMBL10010835 0.85 FFAR1 (0.36) FFAR1PPARGPPARD

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