SCHEMBL4722072

SCHEMBL4722072

COc1cc(OC)cc(-c2cn(-c3cc(N4CC[C@H](OCCO)C4)ccc3C(F)(F)F)c(=O)c3c2ccn3CCO)c1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 5/20 0.37
ACACB O00763 3/20 0.34
LIPC P11150 2/20 0.32
NOTUM Q6P988 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
SCHEMBL4722078 1.00 LIPG (0.37) LIPGACACBLIPCNOTUM
SCHEMBL4718893 0.90 F10 (0.34) ACACB
SCHEMBL4718889 0.90 F10 (0.34) ACACB
SCHEMBL14102024 0.87 NOTUM (0.33) NOTUM
SCHEMBL4722513 0.86 ESRRA (0.31)
SCHEMBL4722284 0.81 LIPG (0.38) LIPGACACBLIPCNOTUM
SCHEMBL4722281 0.81 LIPG (0.38) LIPGACACBLIPCNOTUM
SCHEMBL4719016 0.80 AKR1B10 (0.33)
SCHEMBL4718837 0.76 LIPG (0.39) LIPGACACBLIPCNOTUM
SCHEMBL4722250 0.76 F10 (0.37)

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