SCHEMBL16865201

SCHEMBL16865201

COC(=O)C1(C(=O)OCCOC(=O)C2(C(=O)OC)CC2C)CC1C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 2/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
ALDH1A1 P00352 2/20 0.30
TSHR P16473 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
SCHEMBL9017773 0.87 NPSR1 (0.37) MAPTNPSR1CYP4F2CYP4A11MEN1
SCHEMBL16865153 0.87 THRB (0.44) ALDH1A1TSHR
SCHEMBL16865155 0.79 CYP17A1 (0.46) MAPTNPSR1KMT2AALDH1A1TSHR
SCHEMBL4398594 0.77 MAPT (0.37) MAPTNPSR1CYP4F2CYP4A11MEN1
SCHEMBL371813 0.77 MAPT (0.37) MAPTNPSR1CYP4F2CYP4A11MEN1
SCHEMBL19447708 0.77 MAPT (0.34) MAPTNPSR1CYP4F2CYP4A11ALDH1A1
SCHEMBL5116398 0.77 ALOX15 (0.42) MAPTMEN1KMT2AALDH1A1
SCHEMBL18346711 0.77 ALOX15 (0.42) MAPTMEN1KMT2AALDH1A1
SCHEMBL18556468 0.77 MAPT (0.31) MAPTTSHR
SCHEMBL11148318 0.75 ALDH1A1 (0.40) MAPTNPSR1ALDH1A1TSHR

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