SCHEMBL27769963

SCHEMBL27769963

C=CCOP(=O)(CC)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
BTN3A1 O00481 1/20 0.40
SRC P12931 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
PKM P14618 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
KLK8 O60259 1/20 0.35
PLAU P00749 1/20 0.35
KLK2 P20151 1/20 0.35
KLK4 Q9Y5K2 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL1296520 0.85 SRC (0.40) L3MBTL1BTN3A1SRCTDP1PKM
SCHEMBL649963 0.81 TSHR (0.52) L3MBTL1SRCTDP1
SCHEMBL462633 0.80 L3MBTL1 (0.57) L3MBTL1BTN3A1SRCTDP1MEN1
SCHEMBL27769866 0.80 PKM (0.46) L3MBTL1SRCTDP1PKMSMN1; SMN2
SCHEMBL27769884 0.80 L3MBTL1 (0.46) L3MBTL1BTN3A1SRCTDP1MEN1
SCHEMBL446492 0.80 SRC (0.44) L3MBTL1SRCTDP1PKMSMN1; SMN2
SCHEMBL3860027 0.80 SRC (0.44) L3MBTL1SRCTDP1PKMSMN1; SMN2
SCHEMBL11882122 0.79 CA1 (0.51) L3MBTL1SRCMEN1KMT2A
SCHEMBL27770069 0.78 L3MBTL1 (0.47) L3MBTL1BTN3A1SRCTDP1PKM
SCHEMBL11316249 0.77 L3MBTL1 (0.44) L3MBTL1BTN3A1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103259044-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEMICAL CORP. (JP) 2016-02-10 CN disclosed
CN-102097654-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEMICAL CORP. (JP) 2014-10-01 CN disclosed
CN-103259044-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP 2013-08-21 CN disclosed
CN-101432923-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP 2012-04-18 CN disclosed
CN-102097654-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP 2011-06-15 CN disclosed
CN-101432923-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP (JP) 2009-05-13 CN disclosed