SCHEMBL28056073

SCHEMBL28056073

CC(C1CCCCC1)[P](=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
EPHX1 P07099 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
METAP2 P50579 2/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
CHRM3 P20309 1/20 0.37
METAP1 P53582 1/20 0.37
EPHX2 P34913 2/20 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
SCHEMBL27969184 0.81 GAA (0.42) IDO1GAAL3MBTL1LMNACYP1A2
SCHEMBL779184 0.77 KMT2A (0.36) IDO1GAAL3MBTL1LMNACYP1A2
SCHEMBL2154509 0.69 TDP1 (0.41) L3MBTL1LMNAALDH1A1NPSR1SLC6A2
SCHEMBL2477876 0.68 LMNA (0.49) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL9788809 0.68 LMNA (0.49) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL27748593 0.67 HPGD (0.36) IDO1EPHX1ALDH1A1MEN1KMT2A
SCHEMBL4603729 0.67 GAA (0.55) IDO1GAAL3MBTL1LMNAEPHX1
SCHEMBL29054020 0.67 GAA (0.55) IDO1GAAL3MBTL1LMNAEPHX1
SCHEMBL27821886 0.67 GAA (0.55) IDO1GAAL3MBTL1LMNAEPHX1
SCHEMBL10713142 0.67 ROCK2 (0.39) IDO1GAAL3MBTL1LMNACYP1A2

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