SCHEMBL6169864

SCHEMBL6169864

C=CCc1ccccc1OS(=O)(=O)CCOS(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.39
ADRB2 P07550 4/20 0.38
HTR1A P08908 4/20 0.38
ADRA2C P18825 4/20 0.37
ADRB1 P08588 3/20 0.37
LMNA P02545 2/20 0.37
KCNH2 Q12809 2/20 0.37
ADRB3 P13945 1/20 0.37
SLC6A2 P23975 1/20 0.37
BDKRB2 P30411 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
PMP22 Q01453 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL174594 0.84 ALDH1A1 (0.44) KDM4EALDH1A1ADRB2HTR1AADRA2C
SCHEMBL90539 0.83 KDM4E (0.51) KDM4EALDH1A1ADRB2HTR1AADRA2C
Ammonia Solution, Strong SCHEMBL17304229 0.82 ALDH1A1 (0.43) KDM4EALDH1A1ADRB2HTR1AADRA2C
SCHEMBL10748390 0.82 ALDH1A1 (0.43) KDM4EALDH1A1ADRB2HTR1AADRA2C
Ammonia Solution, Strong SCHEMBL29695851 0.82 ALDH1A1 (0.43) KDM4EALDH1A1ADRB2HTR1AADRA2C
SCHEMBL7242609 0.82 ALDH1A1 (0.43) KDM4EALDH1A1ADRB2HTR1AADRA2C
SCHEMBL5676988 0.82 KDM4E (0.50) KDM4EALDH1A1ADRB2HTR1AADRA2C
SCHEMBL1164563 0.81 MAPT (0.41) KDM4EALDH1A1ADRB2HTR1AADRA2C
SCHEMBL4296256 0.80 ICAM1 (0.44) KDM4EALDH1A1ADRB2HTR1AADRA2C
SCHEMBL11353993 0.79 ALDH1A1 (0.41) KDM4EALDH1A1ADRB2HTR1AADRA2C

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-0921163-B1 Pigment composition and aqueous pigment dispersion prepared therefrom TOYO INK MFG CO (JP) 2005-02-02 EP disclosed
US-6056814-A DRY-MILLING POWDERED PIGMENTS IN PRESENCE OF SURFACTANT AND WATER SOLUBLE RESIN COATING TO IMPROVE ADHESION OF RESIN TO PIGMENT SURFACE YIELDS AQUEOUS DISPERSIONS FOR WATER-BASED PAINTS OR INKS TOYO INK MFG. CO., LTD. (JP) 2000-05-02 US disclosed
EP-0921163-A2 Pigment composition and aqueous pigment dispersion prepared therefrom TOYO INK MANUFACTURING CO., LTD. (JP) 1999-06-09 EP disclosed