SCHEMBL7857421

SCHEMBL7857421

Cc1ccc(S(=O)(=O)O)c(-c2ccccc2O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MPL P40238 1/20 0.44
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
MAPT P10636 6/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
USP2 O75604 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
MAPK1 P28482 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
BRCA1 P38398 1/20 0.41
RECQL P46063 1/20 0.41
PGAM1 P18669 1/20 0.41
MAP1LC3B Q9GZQ8 1/20 0.40
PPIA P62937 1/20 0.39
F2 P00734 1/20 0.39

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
SCHEMBL10692898 0.87 ELANE (0.46) ELANEMAOAMAOBMEN1KMT2A
SCHEMBL7865647 0.87 ELANE (0.46) ELANEMAOAMAOBMPLMEN1
SCHEMBL7862817 0.87 MPL (0.47) ELANEMAOAMAOBMPLMEN1
SCHEMBL31314412 0.87 ELANE (0.46) ELANEMAOAMAOBMEN1KMT2A
SCHEMBL3885120 0.85 ELANE (0.47) ELANEMPLMEN1KMT2AMAPT
SCHEMBL7862807 0.85 ELANE (0.47) ELANEMAOAMAOBMPLMEN1
SCHEMBL25266704 0.82 ELANE (0.49) ELANEMAOAMAOBMPLKMT2A
SCHEMBL8820520 0.82 PTGDR2 (0.47) ELANEMAOBMPLMEN1KMT2A
SCHEMBL5597375 0.82 MAOB (0.44) ELANEMAOAMAOBMPLKMT2A
SCHEMBL780160 0.82 ELANE (0.44) ELANEMPLMAPTALDH1A1KDM4E

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