SCHEMBL778708

SCHEMBL778708

C=CCCOP(=O)(OCCC=C)C(=O)c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
CYP3A4 P08684 1/20 0.37
HPGD P15428 3/20 0.37
THRB P10828 1/20 0.37
GPR52 Q9Y2T5 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35

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
SCHEMBL778707 0.87 KDM4E (0.43) KDM4ESMN1; SMN2KMT2AL3MBTL1ALDH1A1
SCHEMBL776757 0.82 KMT2A (0.49) SMN1; SMN2KMT2AL3MBTL1ALDH1A1TP53
SCHEMBL777395 0.79 TSHR (0.49) KMT2AL3MBTL1ALDH1A1TP53LMNA
SCHEMBL779439 0.79 KMT2A (0.58) SMN1; SMN2KMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL779061 0.78 TSHR (0.50) KDM4EKMT2AL3MBTL1ALDH1A1TP53
SCHEMBL779315 0.77 ALDH1A1 (0.40) SMN1; SMN2KMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL24370183 0.76 CYP3A4 (0.53) KDM4EKMT2AL3MBTL1ALDH1A1TP53
SCHEMBL778227 0.76 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AL3MBTL1ALDH1A1TP53
SCHEMBL4609601 0.75 ALDH1A1 (0.47) SMN1; SMN2KMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL4609527 0.75 SMN1; SMN2 (0.50) SMN1; SMN2KMT2AL3MBTL1ALDH1A1LMNA

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
US-9343777-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-05-17 US disclosed
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed