SCHEMBL16865152

SCHEMBL16865152

C=C(C)C(=O)OCc1ccc(OC(=O)C2(C(=O)OC)CC2C)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.35
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
XBP1 P17861 1/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ATM Q13315 1/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP17A1 P05093 1/20 0.33
CYP19A1 P11511 1/20 0.33
ELANE P08246 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL16865155 0.79 CYP17A1 (0.46) ADAM17MAPTGAAKMT2AALDH1A1
SCHEMBL19194552 0.75 ELANE (0.47) MAPTGAAKMT2AALDH1A1ATM
SCHEMBL453318 0.74 ALDH1A1 (0.53) MAPTALDH1A1ATMPOLBHTT
SCHEMBL16865156 0.73 CYP17A1 (0.39) ADAM17MAPTKMT2AMEN1CYP3A4
SCHEMBL254038 0.73 ALDH1A1 (0.50) KMT2AALDH1A1MEN1CYP3A4POLB
SCHEMBL16140697 0.73 ELANE (0.49) KMT2AALDH1A1ATMMEN1ELANE
SCHEMBL691316 0.73 ELANE (0.49) KMT2AALDH1A1ATMMEN1ELANE
SCHEMBL10904059 0.72 POLB (0.44) MAPTKMT2AALDH1A1MEN1ELANE
SCHEMBL12242652 0.72 KMT2A (0.48) MAPTGAAKMT2AALDH1A1MEN1
SCHEMBL10023763 0.71 ELANE (0.40) MAPTKMT2AALDH1A1ATMELANE

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