SCHEMBL9683142

SCHEMBL9683142

CC(C)CCOc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.42
THRB P10828 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.34
EPHX2 P34913 1/20 0.34
HTT P42858 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CDK1 P06493 2/20 0.32
CCNB1 P14635 2/20 0.32
CCNA2 P20248 2/20 0.32
CDK2 P24941 2/20 0.32
CCNA1 P78396 2/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL18190896 0.81 THRB (0.35) THRATHRBTDP1MAPK1ALDH1A1
SCHEMBL9685152 0.75 SCN4A (0.34) TDP1ALDH1A1GAAMAOA
SCHEMBL26230974 0.69 MCL1 (0.54) TDP1MAPK1ALDH1A1HTTGAA
SCHEMBL9683985 0.68 NPC1 (0.44) THRATHRBCA12CA1CA2
SCHEMBL29371701 0.68 TDP1 (0.47) THRATHRBTDP1MAPK1ALDH1A1
SCHEMBL18071648 0.67 GPR84 (0.43) TDP1MAPK1ALDH1A1EPHX2HTT
SCHEMBL8633464 0.67 ALDH1A1 (0.37) MAPK1ALDH1A1GAA
SCHEMBL9142141 0.67
SCHEMBL16903841 0.67 TDP1 (0.66) TDP1MAPK1EPHX2HTTGAA
SCHEMBL18997834 0.67 SCN4A (0.55) TDP1ALDH1A1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5106522-A Liquid hydrophobic vehicle for electro-rheological fluid NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1992-04-21 US claimed
EP-0150994-B1 ELECTRO-RHEOLOGICAL FLUID COMPOSITIONS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1987-11-19 EP claimed
EP-0150994-A1 Electro-rheological fluid compositions NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1985-08-07 EP claimed
US-5106522-A Liquid hydrophobic vehicle for electro-rheological fluid NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1992-04-21 US disclosed
EP-0150994-B1 ELECTRO-RHEOLOGICAL FLUID COMPOSITIONS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1987-11-19 EP disclosed
EP-0150994-A1 Electro-rheological fluid compositions NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1985-08-07 EP disclosed