SCHEMBL16713307

SCHEMBL16713307

CCC(OCC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.39
▸ CTSK P43235 3/20 0.39
▸ CTSS P25774 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ CASR P41180 1/20 0.38
▸ SYK P43405 1/20 0.37
▸ PTPRC P08575 2/20 0.36

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
SCHEMBL9292110 0.83 CTSS (0.42) CTSKCTSSPTPN1LMNAL3MBTL1
SCHEMBL16673032 0.83 ALDH1A1 (0.48) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL16672751 0.81 L3MBTL1 (0.41) CTSKCTSSPTPN1LMNAMEN1
SCHEMBL16672583 0.81 ALDH1A1 (0.49) ALDH1A1LMNAMEN1KMT2A
SCHEMBL5038984 0.80 GLA (0.44) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL16672576 0.80 ESR1 (0.44) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL16673394 0.79 MAPT (0.43) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL28008257 0.79 FFAR1 (0.48) —
SCHEMBL28195144 0.78 CTSK (0.44) CTSKCTSSLMNAMEN1KMT2A
SCHEMBL14578330 0.78 CTSS (0.39) ALDH1A1CTSKCTSSPTPN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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