SCHEMBL13845282

SCHEMBL13845282

CCCOc1ccc([Co](=O)c2ccc(O)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.66
NR5A1 Q13285 1/20 0.56
ABCG2 Q9UNQ0 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.46
PLK1 P53350 1/20 0.46
LMNA P02545 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SLC5A1 P13866 1/20 0.43
SLC5A2 P31639 1/20 0.43
MGAM O43451 4/20 0.43
GAA P10253 4/20 0.43
SI P14410 4/20 0.43
MGAM2 Q2M2H8 4/20 0.43
ALDH1A1 P00352 1/20 0.42

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
1-Hydroxy-4-Propoxybenzene SCHEMBL56796 0.85 LTA4H (0.88) LTA4HNR5A1ABCG2L3MBTL1PLK1
1-Hydroxy-4-Propoxybenzene SCHEMBL27539049 0.83 LTA4H (0.84) LTA4HNR5A1ABCG2L3MBTL1PLK1
SCHEMBL10704665 0.83 LTA4H (0.84) LTA4HNR5A1ABCG2L3MBTL1PLK1
SCHEMBL13845283 0.81 CHRNA7 (0.52) L3MBTL1LMNAGAASLC6A2
1,4-Dipropoxybenzene SCHEMBL28229170 0.80 LTA4H (0.72) LTA4HNR5A1ABCG2L3MBTL1PLK1
SCHEMBL19848981 0.80 LTA4H (1.00) LTA4HNR5A1ABCG2L3MBTL1PLK1
SCHEMBL430765 0.80 LTA4H (0.78) LTA4HNR5A1ABCG2L3MBTL1MEN1
P-Cresol SCHEMBL11487367 0.78 LTA4H (0.75) LTA4HNR5A1ABCG2L3MBTL1MEN1
SCHEMBL13845292 0.77 LTA4H (0.68) LTA4HNR5A1ABCG2L3MBTL1PLK1
Sulfur Dioxide SCHEMBL21753700 0.77 LTA4H (0.68) LTA4HNR5A1ABCG2L3MBTL1PLK1

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
US-7534547-B2 Optically active compound and photosensitive resin composition OSAKA GAS COMPANY LIMITED (JP) 2009-05-19 US disclosed