SCHEMBL11028328

SCHEMBL11028328

SCCOc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.64
PLA2G2A P14555 1/20 0.64
HDAC3 O15379 1/20 0.61
HDAC4 P56524 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61
KCNA3 P22001 1/20 0.56
TSHR P16473 1/20 0.52
TAAR1 Q96RJ0 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RECQL P46063 1/20 0.50
PPARA Q07869 1/20 0.49

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
SCHEMBL55955 0.91 HDAC3 (0.71) LTA4HPLA2G2AHDAC3HDAC4HDAC1
Iodide SCHEMBL11293378 0.89 HDAC3 (0.68) LTA4HPLA2G2AHDAC3HDAC4HDAC1
SCHEMBL8671305 0.86 LTA4H (0.75) LTA4HPLA2G2AKCNA3TSHRTAAR1
SCHEMBL891033 0.83 HDAC3 (0.52) LTA4HHDAC3HDAC4HDAC1HDAC7
SCHEMBL8673394 0.80 LTA4H (0.67) LTA4HPLA2G2AHDAC1HDAC2KCNA3
SCHEMBL1493177 0.79 HDAC3 (0.83) LTA4HPLA2G2AHDAC3HDAC4HDAC1
SCHEMBL11028331 0.79 HDAC3 (0.47) LTA4HPLA2G2AHDAC3HDAC4HDAC1
SCHEMBL8730007 0.78 LTA4H (0.64) LTA4HPLA2G2AHDAC1HDAC2KCNA3
SCHEMBL9871511 0.78 LTA4H (0.70) LTA4HPLA2G2AHDAC1HDAC2KCNA3
SCHEMBL13545912 0.78 LTA4H (1.00) LTA4HPLA2G2AKCNA3HRH3ALDH1A1

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
EP-0071463-B1 THIOLCARBAMATE COMPOUNDS, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-04-10 EP disclosed
US-4486449-A INSECTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-12-04 US disclosed
EP-0071463-A1 Thiolcarbamate compounds, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-02-09 EP disclosed