SCHEMBL28056014

SCHEMBL28056014

C=CCP(=O)(OCN)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.39
KLK8 O60259 2/20 0.38
PLAU P00749 2/20 0.38
KLK2 P20151 2/20 0.38
KLK4 Q9Y5K2 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
BTN3A1 O00481 1/20 0.37
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
ANPEP P15144 2/20 0.36
LAP3 P28838 2/20 0.36
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.33

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
SCHEMBL780979 0.86 SRC (0.47) SRCKLK8PLAUKLK2KLK4
SCHEMBL1296520 0.85 SRC (0.40) SRCKLK8PLAUKLK2KLK4
SCHEMBL11316249 0.84 L3MBTL1 (0.44) SRCL3MBTL1BTN3A1
SCHEMBL11308363 0.80 BTN3A1 (0.51) SRCKLK8PLAUKLK2KLK4
SCHEMBL8734790 0.80 SRC (0.46) SRCKLK8PLAUKLK2KLK4
SCHEMBL28358861 0.75 SRC (0.50) SRCL3MBTL1TDP1MEN1HTT
SCHEMBL10626029 0.73 SRC (0.52) SRCKLK8PLAUKLK2KLK4
SCHEMBL446492 0.73 SRC (0.44) SRCL3MBTL1TDP1MEN1HTT
SCHEMBL3860027 0.73 SRC (0.44) SRCL3MBTL1TDP1MEN1HTT
SCHEMBL13538322 0.73 SRC (0.53) SRCL3MBTL1TDP1MEN1HTT

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 1 patent. 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