SCHEMBL13047490

SCHEMBL13047490

Cc1c(CNc2ccc3c(c2)OC[C@H]3CC(=O)O)cccc1C1c2cccnc2OC1C

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.47
PPARD Q03181 8/20 0.43
PPARG P37231 7/20 0.43
P2RX7 Q99572 1/20 0.40
PPARA Q07869 1/20 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
SCHEMBL10011340 0.79 FFAR1 (0.51) FFAR1PPARDPPARGPPARA
SCHEMBL3721709 0.77 FFAR1 (0.46) FFAR1PPARDPPARGPPARA
SCHEMBL1708219 0.77 FFAR1 (0.46) FFAR1PPARDPPARGPPARA
SCHEMBL10291548 0.75 FFAR1 (0.51) FFAR1PPARDPPARGPPARA
SCHEMBL3722997 0.74 FFAR1 (0.50) FFAR1PPARDPPARGPPARA
SCHEMBL10012020 0.74 FFAR1 (0.47) FFAR1PPARDPPARGPPARA
SCHEMBL10291550 0.74 FFAR1 (0.43) FFAR1PPARDPPARGPPARA
SCHEMBL1708583 0.74 FFAR1 (0.49) FFAR1PPARDPPARGPPARA
SCHEMBL10010387 0.74 FFAR1 (0.46) FFAR1PPARDPPARGPPARA
SCHEMBL10010697 0.73 FFAR1 (0.53) FFAR1PPARDPPARG

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