SCHEMBL13046441

SCHEMBL13046441

COC(=O)C[C@@H]1COc2cc(NCc3cccc(-c4c(C)cccc4C)c3Cl)ccc21

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 19/20 0.46
PPARG P37231 4/20 0.40
PPARD Q03181 4/20 0.40

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
SCHEMBL13047132 0.91 FFAR1 (0.46) FFAR1PPARGPPARD
SCHEMBL10009863 0.91 FFAR1 (0.53) FFAR1PPARGPPARD
SCHEMBL13046446 0.90 FFAR1 (0.46) FFAR1PPARGPPARD
SCHEMBL10291529 0.87 FFAR1 (0.43) FFAR1PPARGPPARD
SCHEMBL10291216 0.86 FFAR1 (0.39) FFAR1
SCHEMBL10291380 0.84 FFAR1 (0.40) FFAR1
SCHEMBL1707906 0.83 FFAR1 (0.38) FFAR1
SCHEMBL10009860 0.83 FFAR1 (0.54) FFAR1PPARGPPARD
SCHEMBL10292309 0.82 FFAR1 (0.44) FFAR1PPARGPPARD
SCHEMBL10010697 0.81 FFAR1 (0.53) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed