SCHEMBL1708330

SCHEMBL1708330

CCOc1nc2ccccc2n1-c1cccc2c1OC[C@H]2N(C(=O)C(F)(F)F)c1ccc2c(c1)OC[C@H]2CC(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
FFAR1 O14842 15/20 0.32
PPARG P37231 2/20 0.31
PPARA Q07869 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PPARD Q03181 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL1708383 1.00 LMNA (0.35) LMNAFFAR1PPARGPPARAALDH1A1
SCHEMBL10010881 0.93 FFAR1 (0.38) FFAR1PPARGPPARAPPARD
SCHEMBL10009806 0.93 FFAR1 (0.38) FFAR1PPARGPPARAPPARD
SCHEMBL1708591 0.93 FFAR1 (0.33) LMNAFFAR1PPARD
SCHEMBL1708142 0.93 FFAR1 (0.33) LMNAFFAR1PPARD
SCHEMBL1708018 0.92 FFAR1 (0.34) LMNAFFAR1
SCHEMBL1707975 0.91 LMNA (0.34) LMNAFFAR1TSHRHTTSMN1; SMN2
SCHEMBL1708024 0.91 LMNA (0.34) LMNAFFAR1TSHRHTTSMN1; SMN2
SCHEMBL1707935 0.91 LMNA (0.35) LMNAFFAR1PPARDTSHRSMN1; SMN2
SCHEMBL1708117 0.91 LMNA (0.35) LMNAFFAR1PPARDTSHRSMN1; SMN2

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