SCHEMBL15438679

SCHEMBL15438679

CC#CC(C)(C(=O)O)P(=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
ESR1 P03372 1/20 0.39
KMT2A Q03164 4/20 0.39
GAA P10253 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA5A P35218 1/20 0.36
KDM4E B2RXH2 2/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 3/20 0.33
CFTR P13569 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL15438480 0.78 KDM4E (0.40) TSHRESR1KMT2AGAAMEN1
SCHEMBL15438634 0.76 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL15438474 0.76 KDM4E (0.42) TSHRESR1KMT2AGAAMEN1
SCHEMBL6050587 0.69 ALDH1A1 (0.59) TSHRESR1KMT2AGAAMEN1
SCHEMBL11228761 0.68 TSHR (0.54) TSHRESR1KMT2AGAAMEN1
SCHEMBL15438361 0.67 ALDH1A1 (0.30) ALDH1A1MAPTHPGDMAPK1SMN1; SMN2
SCHEMBL11991023 0.65 TSHR (0.45) TSHRESR1KMT2AGAAMEN1
SCHEMBL31314897 0.64 CYP1A2 (0.43) TSHRKMT2AMEN1ALDH1A1MAPT
SCHEMBL31207066 0.64 KMT2A (0.43) TSHRESR1KMT2AGAAMEN1
SCHEMBL27603608 0.64 ESR1 (0.67) TSHRESR1KMT2AGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9384906-B2 Non-aqueous electrolyte solution and electricity-storage device using same UBE INDUSTRIES, LTD. (JP) 2016-07-05 US disclosed
EP-2698859-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND ELECTRICITY-STORAGE DEVICE USING SAME Ube Industries, Ltd. (JP) 2014-02-19 EP disclosed
US-20140030610-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND ELECTRICITY-STORAGE DEVICE USING SAME UBE INDUSTRIES, LTD (JP) 2014-01-30 US disclosed