SCHEMBL777437

SCHEMBL777437

CC(=CCP(=O)(O)O)C(=O)c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 3/20 0.40
GPR52 Q9Y2T5 1/20 0.39
FFAR1 O14842 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PLAU P00749 1/20 0.36
ELANE P08246 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 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
SCHEMBL3883348 0.82 SMN1; SMN2 (0.40) SMN1; SMN2GAAHPGDGPR52FFAR1
SCHEMBL778835 0.81 SMN1; SMN2 (0.41) SMN1; SMN2GAAHPGDGPR52FFAR1
SCHEMBL780574 0.79 SMN1; SMN2 (0.42) SMN1; SMN2HPGDGPR52KDM4EERCC5
SCHEMBL3883438 0.75 SLC6A1 (0.44) SMN1; SMN2GAAHPGDFFAR1ERCC5
SCHEMBL777938 0.74 CES2 (0.48) SMN1; SMN2GAAHPGDNPC1RAB9A
SCHEMBL780020 0.73 HPGD (0.45) SMN1; SMN2HPGDFFAR1NPC1RAB9A
SCHEMBL29425530 0.71 HPGD (0.54) SMN1; SMN2HPGDGPR52KDM4EERCC5
SCHEMBL166603 0.71 HPGD (0.54) SMN1; SMN2HPGDGPR52KDM4EERCC5
SCHEMBL780573 0.70 HPGD (0.43) SMN1; SMN2HPGDGPR52KDM4EERCC5
SCHEMBL4865622 0.70 AKR1C3 (0.58) SMN1; SMN2HPGDGPR52KDM4ENPC1

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