SCHEMBL4721277

SCHEMBL4721277

COc1cc(OC)cc(-c2nn(-c3cc(N4CC[C@H](OCCO)C4)ccc3C(F)(F)F)c(=O)c3c2CCN3C(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 6/20 0.39
ACACB O00763 3/20 0.35
LIPC P11150 2/20 0.34
FFAR1 O14842 6/20 0.33
TTR P02766 1/20 0.33
NOTUM Q6P988 2/20 0.31
F10 P00742 2/20 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
SCHEMBL4722867 0.94 LIPG (0.37) LIPGACACBLIPCFFAR1TTR
SCHEMBL4722861 0.94 LIPG (0.37) LIPGACACBLIPCFFAR1TTR
SCHEMBL4766330 0.88 P2RX7 (0.36) ACACBNOTUMF10F2
SCHEMBL4718837 0.88 LIPG (0.39) LIPGACACBLIPCFFAR1NOTUM
SCHEMBL4720788 0.85 LIPG (0.37) LIPGACACBLIPCTTRNOTUM
SCHEMBL4721540 0.85 LIPG (0.37) LIPGACACBLIPCTTRNOTUM
SCHEMBL4720793 0.85 LIPG (0.37) LIPGACACBLIPCTTRNOTUM
SCHEMBL4721956 0.84 ACACB (0.34) ACACBFFAR1F10F2
SCHEMBL4721962 0.84 ACACB (0.34) ACACBFFAR1F10F2
SCHEMBL4721893 0.84 LIPG (0.35) LIPGACACBLIPCFFAR1NOTUM

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