SCHEMBL16673196

SCHEMBL16673196

CCCCOC(=O)C(C)(OCC)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.52
CYP2D6 P10635 3/20 0.52
TSHR P16473 5/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CHRM2 P08172 4/20 0.46
CHRM1 P11229 4/20 0.46
CHRM3 P20309 4/20 0.46
CHRM4 P08173 3/20 0.46
CHRM5 P08912 1/20 0.46
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
SCN1A P35498 2/20 0.43
SCN2A Q99250 2/20 0.43
SCN3A Q9NY46 2/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL16673078 0.91 CYP2D6 (0.48) CYP3A4CYP2D6TSHRCHRM2CHRM1
SCHEMBL7861200 0.86 PIN1 (0.50) CYP3A4CYP2D6TSHRCHRM2CHRM1
SCHEMBL14258113 0.81 TSHR (0.53) CYP3A4CYP2D6TSHRTDP1L3MBTL1
SCHEMBL16732083 0.81 TSHR (0.53) CYP3A4CYP2D6TSHRTDP1L3MBTL1
SCHEMBL10029779 0.81 CHRM2 (0.66) CYP3A4CYP2D6TSHRTDP1L3MBTL1
SCHEMBL28004295 0.81 TSHR (0.49) CYP3A4CYP2D6TSHRTDP1L3MBTL1
SCHEMBL16672541 0.81 ALDH1A1 (0.49) CYP3A4CYP2D6TSHRTDP1L3MBTL1
SCHEMBL28485015 0.80 TSHR (0.51) CYP3A4CYP2D6TSHRTDP1L3MBTL1
SCHEMBL28558105 0.80 TSHR (0.54) CYP3A4CYP2D6TSHRTDP1L3MBTL1
SCHEMBL8168380 0.80 KCNN4 (0.55) CYP3A4CYP2D6TSHRTDP1L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2869389-B1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME MITSUBISHI CHEM CORP (JP) 2019-11-13 EP disclosed
US-10320030-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-06-11 US disclosed
US-20150140448-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2015-05-21 US disclosed
EP-2869389-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME Mitsubishi Chemical Corporation (JP) 2015-05-06 EP disclosed