SCHEMBL778835

SCHEMBL778835

Cc1ccccc1C(=O)C(=CCP(=O)(O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.40
HPGD P15428 4/20 0.40
ALDH1A1 P00352 2/20 0.40
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
GPR52 Q9Y2T5 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
FFAR1 O14842 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL779593 0.81 CES2 (0.54) SMN1; SMN2KMT2AHPGDALDH1A1NPC1
SCHEMBL778666 0.81 HPGD (0.42) SMN1; SMN2KMT2AHPGDALDH1A1KCNK3
SCHEMBL777437 0.81 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AGAAHPGDALDH1A1
SCHEMBL3883438 0.81 SLC6A1 (0.44) SMN1; SMN2KMT2AGAAHPGDALDH1A1
SCHEMBL3883348 0.75 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AGAAHPGDALDH1A1
SCHEMBL19041315 0.73 RECQL (0.45) SMN1; SMN2KMT2AHPGDALDH1A1KCNK3
SCHEMBL19041180 0.71 KMT2A (0.40) SMN1; SMN2KMT2AHPGDALDH1A1KCNK3
Benzil SCHEMBL1515663 0.70 CES2 (0.61) SMN1; SMN2HPGDALDH1A1KCNK3KCNK9
SCHEMBL3627482 0.70 CES2 (0.61) SMN1; SMN2HPGDALDH1A1KCNK3KCNK9
SCHEMBL19041264 0.70 TSHR (0.43) SMN1; SMN2KMT2AGAAALDH1A1GPR52

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