SCHEMBL27640909

SCHEMBL27640909

CCCCC(CC)Cc1ccc(S(=O)(=O)Oc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
KDM4A O75164 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CA2 P00918 1/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.36
ENPP1 P22413 1/20 0.36
HTT P42858 1/20 0.36
F2 P00734 1/20 0.36
MAPT P10636 1/20 0.36
VDR P11473 1/20 0.36
CNR2 P34972 1/20 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
SCHEMBL7741899 0.81 ALDH1A1 (0.41) ALDH1A1CA2CYP3A4MAPK1LMNA
SCHEMBL3621448 0.79 CA2 (0.54) KDM4EALDH1A1CA2TDP1GAA
SCHEMBL3466390 0.77 ALDH1A1 (0.49) KDM4EALDH1A1CA2CYP3A4TDP1
SCHEMBL9325591 0.76 CA2 (0.40) ALDH1A1CA2CYP3A4L3MBTL1LMNA
SCHEMBL10833221 0.76 CA2 (0.39) ALDH1A1CA2CYP3A4TDP1L3MBTL1
SCHEMBL27641648 0.76 CA2 (0.53) CA2ENPP1CNR2
SCHEMBL8397965 0.76 MAPT (0.56) KDM4EALDH1A1CA2TDP1GAA
Water SCHEMBL28872920 0.75 ALDH1A1 (0.47) KDM4EALDH1A1CA2CYP3A4TDP1
SCHEMBL153634 0.75 BDKRB2 (0.48) KDM4EALDH1A1CA2CYP3A4TDP1
SCHEMBL18092320 0.74 BDKRB2 (0.51) KDM4EALDH1A1CA2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1890332-B Ink composition for indicating heat history, package having indication by said composition, and method for adjusting period for completion of color change of said composition TOYO SEIKAN KAISHA LTD 2010-12-22 CN disclosed
CN-1890332-A Ink composition for indicating heat history, package having indication by said composition, and method for adjusting period for completion of color change of said composition TOYO SEIKAN KAISHA LTD (JP) 2007-01-03 CN disclosed