SCHEMBL6674306

SCHEMBL6674306

O=C(CC(c1ccccc1)S(=O)(=O)O)c1ccccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.46
KDM4E B2RXH2 7/20 0.43
TDP1 Q9NUW8 3/20 0.43
HIF1A Q16665 1/20 0.43
ALDH1A1 P00352 7/20 0.43
HPGD P15428 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HMGB1 P09429 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
CA14 Q9ULX7 1/20 0.43

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
SCHEMBL6677164 0.98 SRC (0.45) SRCKDM4ETDP1HIF1AALDH1A1
SCHEMBL6677158 0.85 NFKB1 (0.44) KDM4ETDP1HIF1AALDH1A1HPGD
SCHEMBL22014067 0.80 TSHR (0.56) SRCKDM4ETDP1ALDH1A1HPGD
SCHEMBL22014331 0.80 TSHR (0.56) SRCKDM4ETDP1ALDH1A1HPGD
SCHEMBL6677049 0.80 TSHR (0.56) SRCKDM4ETDP1ALDH1A1HPGD
SCHEMBL6679977 0.79 TSHR (0.48) ALDH1A1SMN1; SMN2NFKB1TSHRMAPT
SCHEMBL6673825 0.79 TSHR (0.55) SRCKDM4ETDP1ALDH1A1HPGD
SCHEMBL9304771 0.78 SRC (0.57) SRCALDH1A1LMNAKMT2A
SCHEMBL15649525 0.76 HPGD (0.53) KDM4ETDP1HIF1AALDH1A1HPGD
SCHEMBL10033957 0.75 ALDH1A1 (0.53) SRCKDM4ETDP1HIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204636-A1 3-OXOPROPANE-1-SULPHONIC ACIDS AND SULPHONATES DSM N.V. (NL) 2002-05-15 EP claimed
WO-2001014327-A1 3-OXOPROPANE-1-SULPHONIC ACIDS AND SULPHONATES DSM N.V. (NL) 2001-03-01 WO claimed
EP-1204636-B1 3-OXOPROPANE-1-SULPHONIC ACIDS AND SULPHONATES DSM IP ASSETS BV (NL) 2004-10-27 EP disclosed
US-6639103-B1 Enantiomerically enriched forms; resolving amino functiona-lized enantiomers DSM N.V. (NL) 2003-10-28 US disclosed
EP-1204636-A1 3-OXOPROPANE-1-SULPHONIC ACIDS AND SULPHONATES DSM N.V. (NL) 2002-05-15 EP disclosed
WO-2001014327-A1 3-OXOPROPANE-1-SULPHONIC ACIDS AND SULPHONATES DSM N.V. (NL) 2001-03-01 WO disclosed