SCHEMBL778707

SCHEMBL778707

C=CCCOP(=O)(O)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 0.41
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
CYP3A4 P08684 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 3/20 0.36
GPR52 Q9Y2T5 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34

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
SCHEMBL778708 0.87 KDM4E (0.43) KDM4ESMN1; SMN2L3MBTL1KMT2AALDH1A1
SCHEMBL776756 0.82 KMT2A (0.47) SMN1; SMN2L3MBTL1KMT2AALDH1A1TP53
SCHEMBL779397 0.79 TSHR (0.49) KDM4EL3MBTL1KMT2AALDH1A1TP53
SCHEMBL779314 0.77 ALDH1A1 (0.39) SMN1; SMN2L3MBTL1KMT2AALDH1A1MEN1
SCHEMBL3885797 0.75 ALDH1A1 (0.40) KDM4ESMN1; SMN2L3MBTL1KMT2AALDH1A1
SCHEMBL24370183 0.75 CYP3A4 (0.53) KDM4EL3MBTL1KMT2AALDH1A1TP53
SCHEMBL778226 0.74 KDM4E (0.43) KDM4ESMN1; SMN2L3MBTL1KMT2AALDH1A1
SCHEMBL777087 0.74 NPC1 (0.46) L3MBTL1KMT2ATP53MEN1NPC1
SCHEMBL3885799 0.72 KDM4E (0.35) KDM4ESMN1; SMN2L3MBTL1KMT2AALDH1A1
SCHEMBL778023 0.72 SMN1; SMN2 (0.41) KDM4ESMN1; SMN2L3MBTL1ALDH1A1LMNA

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