SCHEMBL4722867

SCHEMBL4722867

COc1cc(OC)cc(-c2nn(-c3cc(N4CCC(OCCO)C4)ccc3C(F)(F)F)c(=O)c3c2CCN3C(N)=O)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 5/20 0.37
ACACB O00763 3/20 0.33
LIPC P11150 2/20 0.32
TTR P02766 1/20 0.32
FFAR1 O14842 2/20 0.32
F10 P00742 8/20 0.32
NOTUM Q6P988 1/20 0.31
F2 P00734 1/20 0.31

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
SCHEMBL4722861 1.00 LIPG (0.37) LIPGACACBLIPCTTRFFAR1
SCHEMBL4721277 0.94 LIPG (0.39) LIPGACACBLIPCTTRFFAR1
SCHEMBL4724414 0.88 P2RX7 (0.35) F10NOTUMF2
SCHEMBL4724420 0.88 P2RX7 (0.35) F10NOTUMF2
SCHEMBL4718837 0.87 LIPG (0.39) LIPGACACBLIPCFFAR1F10
SCHEMBL4721394 0.87 F10 (0.33) F10F2
SCHEMBL4722284 0.86 LIPG (0.38) LIPGACACBLIPCTTRFFAR1
SCHEMBL4722281 0.86 LIPG (0.38) LIPGACACBLIPCTTRFFAR1
SCHEMBL4720793 0.86 LIPG (0.37) LIPGACACBLIPCTTRF10
SCHEMBL4721540 0.86 LIPG (0.37) LIPGACACBLIPCTTRF10

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
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed