SCHEMBL6553447

SCHEMBL6553447

Cc1cc(C=O)cc(S(=O)(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.38
CYP2A6 P11509 1/20 0.37
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ING2 Q9H160 1/20 0.35
SRC P12931 2/20 0.34
SNCA P37840 1/20 0.34
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.31
LMNA P02545 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
NT5E P21589 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 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
SCHEMBL10452211 0.98 ERN1 (0.36) ERN1CYP2A6LCKFYNTDP1
SCHEMBL18475662 0.85 LCK (0.43) LCKFYNTDP1ING2TSHR
SCHEMBL1199354 0.85 LCK (0.43) LCKFYNTDP1ING2TSHR
SCHEMBL10931312 0.83 LCK (0.41) LCKFYNTDP1ING2TSHR
SCHEMBL6520071 0.83 LCK (0.41) LCKFYNTDP1ING2TSHR
SCHEMBL28510700 0.83 LCK (0.41) LCKFYNTDP1ING2TSHR
SCHEMBL646278 0.80 LCK (0.46) LCKFYNTDP1ING2SNCA
SCHEMBL8162990 0.80 LCK (0.46) LCKFYNTDP1ING2SNCA
SCHEMBL23792366 0.80 CA2 (0.43) CYP2A6CA1CA2
SCHEMBL10452210 0.78 LMNA (0.42) ERN1CYP2A6TDP1SRCLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1485470-A2 USE OF XYLENE MONOOXYGENASE FOR THE OXIDATION OF SUBSTITUTED MONOCYCLIC AROMATIC COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-12-15 EP claimed
US-20030073206-A1 Use of xylene monooxygenase for the oxidation of substituted monocyclic aromatic compounds E. I. DU PONT DE NEMOURS AND COMPANY 2003-04-17 US claimed
WO-2003014368-A2 USE OF XYLENE MONOOXYGENASE FOR THE OXIDATION OF SUBSTITUTED MONOCYCLIC AROMATIC COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-02-20 WO claimed
EP-1485470-A2 USE OF XYLENE MONOOXYGENASE FOR THE OXIDATION OF SUBSTITUTED MONOCYCLIC AROMATIC COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-12-15 EP disclosed
US-20030073206-A1 Use of xylene monooxygenase for the oxidation of substituted monocyclic aromatic compounds E. I. DU PONT DE NEMOURS AND COMPANY 2003-04-17 US disclosed
WO-2003014368-A2 USE OF XYLENE MONOOXYGENASE FOR THE OXIDATION OF SUBSTITUTED MONOCYCLIC AROMATIC COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-02-20 WO disclosed
US-4276188-A OPTICAL BRIGHTENERS FOR COTTON AND POLYAMIDES CIBA-GEIGY CORPORATION (US) 1981-06-30 US disclosed
US-4014644-A OPTICAL BRIGHTENERS FOR POLYAMIDES AND CELLULOSE CIBA-GEIGY CORPORATION (US) 1977-03-29 US disclosed
US-4013642-A OPTICAL BRIGHTENERS CIBA-GEIGY CORPORATION (US) 1977-03-22 US disclosed