SCHEMBL7862817

SCHEMBL7862817

Cc1ccc(O)c(-c2ccccc2S(=O)(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.47
ELANE P08246 1/20 0.46
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
MAPT P10636 5/20 0.42
HPGD P15428 5/20 0.42
TDP1 Q9NUW8 4/20 0.42
ALOX15 P16050 3/20 0.42
USP2 O75604 3/20 0.42
POLB P06746 3/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
BAZ2B Q9UIF8 1/20 0.41
BAZ2A Q9UIF9 1/20 0.41
PGAM1 P18669 1/20 0.41
MYC P01106 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL7862807 0.88 ELANE (0.47) MPLELANEKMT2AMEN1MAPT
SCHEMBL7857421 0.87 ELANE (0.46) MPLELANEKMT2AMEN1MAPT
SCHEMBL5674095 0.85 ELANE (0.47) MPLELANEKMT2AMEN1MAPT
SCHEMBL7865647 0.83 ELANE (0.46) MPLELANEKMT2AMEN1MAPT
SCHEMBL27324940 0.82 ELANE (0.44) MPLELANEKMT2AMEN1MAPT
SCHEMBL2761135 0.81 ELANE (0.47) MPLELANEKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL27323561 0.81 ELANE (0.43) MPLELANEKMT2AMEN1MAPT
SCHEMBL6155652 0.80 PGAM1 (0.44) MPLKMT2AMEN1MAPTHPGD
SCHEMBL29700277 0.80 PGAM1 (0.44) MPLKMT2AMEN1MAPTHPGD
SCHEMBL3885120 0.78 ELANE (0.47) MPLELANEKMT2AMEN1MAPT

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