SCHEMBL9750069

SCHEMBL9750069

CCCCc1cc(S(=O)(=O)c2ccc(O)c(CCCC)c2)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.54
TYR P14679 1/20 0.47
CA2 P00918 7/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 4/20 0.46
MAPT P10636 2/20 0.46
SERPINE1 P05121 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44
KDM4E B2RXH2 4/20 0.43
MEN1 O00255 4/20 0.43
HTT P42858 4/20 0.43
KMT2A Q03164 4/20 0.43
ATM Q13315 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ESR1 P03372 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
SCHEMBL8610020 0.95 POLB (0.53) POLBTYRCA2SMN1; SMN2GAA
SCHEMBL2363780 0.95 POLB (0.53) POLBTYRCA2SMN1; SMN2GAA
SCHEMBL8493258 0.94 TYR (0.50) POLBTYRCA2SMN1; SMN2GAA
SCHEMBL4899940 0.89 POLB (0.57) POLBCA2GAAMAPTSERPINE1
SCHEMBL29599655 0.89 POLB (0.57) POLBCA2GAAMAPTSERPINE1
SCHEMBL8521106 0.89 MEN1 (0.50) POLBTYRCA2SMN1; SMN2GAA
SCHEMBL8491475 0.89 PKM (0.53) POLBCA2GAACA1
SCHEMBL29567634 0.88 ALDH1A1 (0.47) POLBTYRCA2SMN1; SMN2GAA
SCHEMBL8495856 0.85 POLB (0.42) POLBCA2SMN1; SMN2GAAMAPT
SCHEMBL10917095 0.84 CA2 (0.46) POLBTYRCA2SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4880767-A COLOR FORMING SYSTEMS, FLUORENE DYES, DYE DEVELOPERS MITSUBISHI PAPER MILLS (JP) 1989-11-14 US claimed
US-5084593-A Cyanine, aniline dyes for heat sensitive recording elements RICOH COMPANY, LTD. (JP) 1992-01-28 US disclosed
US-5008238-A Thermosensitive material with phenolic developer RICOH COMPANY, LTD. (JP) 1991-04-16 US disclosed
US-4983569-A Color-forming layer comprising a fluorene dye chromogen, a developer, an isocyanate and an imino compound; infrared absorption; storage stability; colorfastness MITSUBISHI PAPER MILLS (JP) 1991-01-08 US disclosed
US-4880767-A COLOR FORMING SYSTEMS, FLUORENE DYES, DYE DEVELOPERS MITSUBISHI PAPER MILLS (JP) 1989-11-14 US disclosed