SCHEMBL28050464

SCHEMBL28050464

C#CCOC(=O)C(F)CCP(=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
NPC1 O15118 1/20 0.42
POLB P06746 3/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 1/20 0.41
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 2/20 0.39
ALPG P10696 1/20 0.39
ALOX12 P18054 1/20 0.39
NPY1R P25929 1/20 0.39
HTT P42858 1/20 0.39
NPY2R P49146 1/20 0.39
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL15438916 0.77 ALDH1A1 (0.49) GAANPC1POLBKMT2ATDP1
SCHEMBL15438478 0.77 NPC1 (0.46) GAANPC1POLBKMT2AALDH1A1
SCHEMBL15438085 0.75 NPSR1 (0.51) GAANPC1POLBKMT2ATDP1
SCHEMBL15438170 0.74 POLB (0.58) GAANPC1POLBKMT2AALDH1A1
SCHEMBL27946050 0.73 ACHE (0.34) NPC1TSHR
SCHEMBL27927973 0.73 ACHE (0.37) NPC1
SCHEMBL15438677 0.71 NPC1 (0.46) GAANPC1POLBKMT2AALDH1A1
SCHEMBL27927961 0.70 PPARD (0.43) TSHRL3MBTL1
SCHEMBL15438471 0.69 POLB (0.56) GAANPC1POLBKMT2AALDH1A1
SCHEMBL15438702 0.69 NPC1 (0.44) NPC1KMT2AALDH1A1MEN1NPSR1

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-103460495-B Nonaqueous electrolytic solution and employ the electric energy storage device of this nonaqueous electrolytic solution UBE INDUSTRIES, LTD. (JP) 2016-01-27 CN disclosed