SCHEMBL4721540

SCHEMBL4721540

COc1cc(OC)cc(-c2nn(-c3cc(N4CC[C@@H](OCCO)C4)ccc3C(F)(F)F)c(=O)c3c2CCN3)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
IDH1 O75874 1/20 0.31
TTR P02766 1/20 0.31
NOTUM Q6P988 1/20 0.30
F10 P00742 3/20 0.30
F2 P00734 1/20 0.30

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
SCHEMBL4720793 1.00 LIPG (0.37) LIPGACACBLIPCIDH1TTR
SCHEMBL4720788 1.00 LIPG (0.37) LIPGACACBLIPCIDH1TTR
SCHEMBL4718837 0.89 LIPG (0.39) LIPGACACBLIPCNOTUMF10
SCHEMBL4766703 0.88 F10 (0.36) F10F2
SCHEMBL4721178 0.88 F10 (0.36) F10F2
SCHEMBL4721173 0.88 F10 (0.36) F10F2
SCHEMBL4722867 0.86 LIPG (0.37) LIPGACACBLIPCTTRNOTUM
SCHEMBL4722861 0.86 LIPG (0.37) LIPGACACBLIPCTTRNOTUM
SCHEMBL4718926 0.86 F10 (0.32) F10F2
SCHEMBL4721277 0.85 LIPG (0.39) LIPGACACBLIPCTTRNOTUM

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