SCHEMBL13046194

SCHEMBL13046194

COC(=O)C[C@@H]1COc2cc(NCc3cccc(-c4c(C)oc5cccnc45)c3C)ccc21

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.42
PPARG P37231 6/20 0.36
PPARA Q07869 1/20 0.36
PPARD Q03181 5/20 0.36
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34

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
SCHEMBL3721709 0.94 FFAR1 (0.46) FFAR1PPARGPPARAPPARD
SCHEMBL10291390 0.89 FFAR1 (0.38) FFAR1PPARGPPARAPPARDPDCD1
SCHEMBL13046592 0.88 FFAR1 (0.40) FFAR1PPARGPPARAPPARDPDCD1
SCHEMBL3717530 0.87 FFAR1 (0.35) FFAR1PDCD1CD274
SCHEMBL1708219 0.82 FFAR1 (0.46) FFAR1PPARGPPARAPPARD
SCHEMBL13048415 0.79 FFAR1 (0.42) FFAR1PPARGPPARAPPARDPDCD1
SCHEMBL1708201 0.79 PDCD1 (0.33) PDCD1CD274
SCHEMBL10291219 0.78 FFAR1 (0.40) FFAR1PPARGPPARDPDCD1CD274
SCHEMBL10292309 0.78 FFAR1 (0.44) FFAR1PPARGPPARAPPARD
SCHEMBL13047132 0.78 FFAR1 (0.46) 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