SCHEMBL7868085

SCHEMBL7868085

Cc1cccc(O)c1-c1ccccc1S(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.50
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 4/20 0.44
MAOA P21397 3/20 0.44
ELANE P08246 3/20 0.44
CTSG P08311 1/20 0.44
PGAM1 P18669 1/20 0.44
TDP1 Q9NUW8 4/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 3/20 0.43
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
MAOB P27338 1/20 0.43
HTT P42858 1/20 0.43
BLM P54132 2/20 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
SCHEMBL7865651 0.87 STAT3 (0.46) STAT3MEN1KMT2AMAPTMAOA
SCHEMBL460174 0.86 STAT3 (0.51) STAT3MEN1KMT2AMAPTMAOA
SCHEMBL27957398 0.80 STAT3 (0.63) STAT3MEN1KMT2AMAPTMAOA
SCHEMBL7868083 0.79 ALDH1A1 (0.45) MEN1KMT2AMAPTELANECTSG
SCHEMBL30394362 0.79 STAT3 (0.51) STAT3MEN1KMT2AMAPTMAOA
SCHEMBL27279359 0.79 STAT3 (0.51) STAT3MEN1KMT2AMAPTMAOA
Catechol SCHEMBL28478110 0.78 ESR2 (0.49) MEN1KMT2AMAPTTDP1HPGD
SCHEMBL3886759 0.78 MYC (0.47) PGAM1HPGDSMN1; SMN2TSHRMYC
SCHEMBL17377322 0.78 STAT3 (0.42) STAT3MEN1KMT2AMAPTMAOA
SCHEMBL7647835 0.78 TRPA1 (0.50) MEN1KMT2AMAPTMAOAELANE

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-6303562-B1 ALKYLATING HYDROXYPHENYLBENZENESULFINIC/SULFONIC ACID COMPOUND WITH ALKENE OR SUBSTITUTED ALKENE TO FORM ALKYLATED PRODUCT ENCHIRA BIOTECHNOLOGY CORPORATION 2001-10-16 US disclosed
WO-2000042005-A1 COMPOSITIONS COMPRISING 2-(2-HYDROXYPHENYL) BENZENESULFINATE AND ALKYL-SUBSTITUTED DERIVATIVES THEREOF ENERGY BIOSYSTEMS CORPORATION (US) 2000-07-20 WO disclosed