SCHEMBL4722281

SCHEMBL4722281

COc1cc(OC)cc(-c2cn(-c3cc(N4CC[C@H](OCCO)C4)ccc3C(F)(F)F)c(=O)c3c2CCN3C(N)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 5/20 0.38
ACACB O00763 3/20 0.33
LIPC P11150 2/20 0.33
TTR P02766 1/20 0.31
NOTUM Q6P988 1/20 0.31
FFAR1 O14842 1/20 0.31
F10 P00742 1/20 0.30
RBP4 P02753 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
SCHEMBL4722284 1.00 LIPG (0.38) LIPGACACBLIPCTTRNOTUM
SCHEMBL4719251 0.87 ACVR1 (0.35) F10RBP4
SCHEMBL4722861 0.86 LIPG (0.37) LIPGACACBLIPCTTRNOTUM
SCHEMBL4722867 0.86 LIPG (0.37) LIPGACACBLIPCTTRNOTUM
SCHEMBL4722072 0.81 LIPG (0.37) LIPGACACBLIPCNOTUM
SCHEMBL4722078 0.81 LIPG (0.37) LIPGACACBLIPCNOTUM
SCHEMBL14101950 0.81 UCHL1 (0.37) F10RBP4
SCHEMBL4721277 0.80 LIPG (0.39) LIPGACACBLIPCTTRNOTUM
SCHEMBL4719937 0.80 ACVR1 (0.32)
SCHEMBL4721143 0.77 SUV39H2 (0.36) ACACB

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