SCHEMBL16865165

SCHEMBL16865165

CCC(COC(=O)C1(C#N)CC1C)(COC(=O)C1(C#N)CC1C)COC(=O)C1(C#N)CC1C

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.31
S1PR4 O95977 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
THRB P10828 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
SCHEMBL16865150 0.84
SCHEMBL5435193 0.82 ALDH1A1 (0.36) JAK2S1PR4MAPTPKMMAPK1
SCHEMBL14435631 0.82 ALDH1A1 (0.36) JAK2S1PR4MAPTPKMMAPK1
SCHEMBL16865154 0.80 ALDH1A1 (0.32)
SCHEMBL16865199 0.77 NPSR1 (0.30)
SCHEMBL16865183 0.76 NAAA (0.32)
SCHEMBL10073885 0.71 CTSK (0.33) MAPTMAPK1
SCHEMBL16865175 0.71 PRKCA (0.31)
SCHEMBL16865163 0.67 POLB (0.34) RAB9A
SCHEMBL10990279 0.67 ALDH1A1 (0.35) MAPT

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
US-20150188193-A1 NON-AQUEOUS LIQUID ELECTROLYTE FOR SECONDARY BATTERY AND SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2015-07-02 US disclosed