SCHEMBL28296073

SCHEMBL28296073

C=CC(=O)C(C)(O)Cc1cc(C(C)(C)C)cc(-n2nc3ccc(Cl)cc3n2)c1O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL19119905 0.82 NPC1 (0.39) NPC1RAB9A
SCHEMBL4200837 0.81 NPC1 (0.31) NPC1RAB9A
SCHEMBL20592414 0.81 NPC1 (0.39) NPC1RAB9A
SCHEMBL9408770 0.81 EPHX2 (0.36) NPC1RAB9A
SCHEMBL28641188 0.80 NPC1 (0.39) NPC1RAB9A
SCHEMBL5072336 0.79 MEN1 (0.36) NPC1RAB9A
SCHEMBL9408764 0.79 NPC1 (0.38) NPC1RAB9A
SCHEMBL9408789 0.78 EPHX2 (0.34) NPC1RAB9A
SCHEMBL3287005 0.76 AKT1 (0.33) NPC1RAB9A
SCHEMBL9377017 0.76 GAA (0.39) NPC1RAB9A

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
CN-109715723-A Polyolefin resin composite and the formed products for using it 株式会社ADEKA 2019-05-03 CN disclosed