SCHEMBL4238902

SCHEMBL4238902

COc1cc2cc3ccccc3cc2c(S(=O)(=O)O)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.46
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
SLC2A1 P11166 1/20 0.43
ABCG2 Q9UNQ0 4/20 0.41
ABCB1 P08183 1/20 0.41
KAT6A Q92794 1/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TUBB4A P04350 3/20 0.40
TUBB P07437 3/20 0.40
TUBA3C P0DPH7 3/20 0.40
TUBA1B P68363 3/20 0.40
TUBA4A P68366 3/20 0.40
TUBB4B P68371 3/20 0.40
TUBB3 Q13509 3/20 0.40
TUBB2A Q13885 3/20 0.40
TUBB8 Q3ZCM7 3/20 0.40

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
Biphenyl SCHEMBL5178781 0.93 HPGD (0.41) NQO1MAPTKDM4EALDH1A1HPGD
SCHEMBL5178783 0.91 ALDH1A1 (0.40) NQO1MAPTKDM4EALDH1A1HPGD
SCHEMBL5950594 0.88 NQO1 (0.46) NQO1MAPTKDM4EALDH1A1HPGD
SCHEMBL4878845 0.84 NQO1 (0.45) NQO1MAPTKDM4EALDH1A1HPGD
SCHEMBL2220777 0.82 PDGFRB (0.47) KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2220772 0.81 MAPK9 (0.39) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4880032 0.78 NQO1 (0.39) NQO1MAPTKDM4EALDH1A1HPGD
SCHEMBL7889092 0.76 NQO1 (0.53) NQO1MAPTKDM4EALDH1A1HPGD
SCHEMBL27924040 0.75 CYP2D6 (0.49) NQO1MAPTKDM4EALDH1A1HPGD
SCHEMBL27852298 0.74 NQO1 (0.44) NQO1MAPTKDM4EALDH1A1HPGD

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
US-20090008238-A1 TRANSPORTABLE GAS STERILIZATION UNIT, DISPOSABLE GAS GENERATOR, LIGHT ACTIVATED ANTI-INFECTIVE COATING AND METHOD OF DISINFECTION AND STERILIZATION USING CHLORINE DIOXIDE THE ARIZONA BD OF REG ON BEHALF OF THE UNIV OF AZ (US) 2009-01-08 US disclosed
US-6183934-B1 FOE USE IN FORMATION OF PATTERN OF INSULATION FILM, PASSIVATION FILM, .ALPHA.-RAY SHIELDING FILM, OPTICAL WAVEGUIDE KABUSHIKI KAISHA TOSHIBA (JP) 2001-02-06 US disclosed