SCHEMBL751983

SCHEMBL751983

O=C(O)c1ccc(S(=O)(=O)O)c(-c2ccc3ccccc3c2)c1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
SOS1 Q07889 1/20 0.52
HIF1A Q16665 1/20 0.52
ACMSD Q8TDX5 1/20 0.48
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
FABP5 Q01469 1/20 0.43
WDR5 P61964 1/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
FTO Q9C0B1 1/20 0.39
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL751336 0.84 CA1 (0.41) CYP2D6CYP2C9TSHRHIF1AACMSD
SCHEMBL1644612 0.84 CYP1A2 (0.55) CYP2D6CYP1A2CYP2C19CYP2C9TSHR
SCHEMBL11694263 0.80 SLC6A3 (0.53) CYP2D6CYP1A2CYP2C19CYP2C9TSHR
SCHEMBL751984 0.78 CYP1A2 (0.45) CYP2D6CYP1A2CYP2C19CYP2C9TSHR
SCHEMBL29002787 0.77 GPR84 (0.47) CYP2D6CYP1A2CYP2C19CYP2C9TSHR
SCHEMBL2548805 0.76 CYP2D6 (0.48) CYP2D6CYP1A2CYP2C19CYP2C9TSHR
SCHEMBL6338048 0.76 TSHR (0.45) CYP2D6CYP2C9TSHRHIF1AMEN1
SCHEMBL1661025 0.74 MEN1 (0.54) CYP2D6CYP1A2CYP2C19CYP2C9TSHR
SCHEMBL30421930 0.74 MEN1 (0.54) CYP2D6CYP1A2CYP2C19CYP2C9TSHR
SCHEMBL27569188 0.74 BCAT2 (0.41) TSHRMEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011524450-A 2011-09-01 JP claimed
US-20110095109-A1 Process for Producing Polyester Pellets CLARIANT FINANCE (BVI) LIMITED (VG) 2011-04-28 US claimed
EP-2291428-A1 PROCESS FOR PRODUCING POLYESTER PELLETS Clariant Finance (BVI) Limited (VG) 2011-03-09 EP claimed
WO-2009152994-A1 PROCESS FOR PRODUCING POLYESTER PELLETS CLARIANT INTERNATIONAL LTD (CH) 2009-12-23 WO claimed
EP-2552994-B1 COLORED POLYESTER CLARIANT FINANCE BVI LTD (VG) 2015-02-18 EP disclosed
US-20130045912-A1 Colored Polyester CLARIANT FINANCE (BVI) LIMITED (VG) 2013-02-21 US disclosed
EP-2552994-A1 COLORED POLYESTER Clariant Finance (BVI) Limited (VG) 2013-02-06 EP disclosed
EP-2431456-A1 New amphiphile polycondensates and use of same in combination with polyester or surfaces containing polyester Polyprec GmbH (DE) 2012-03-21 EP disclosed
WO-2011120653-A1 COLORED POLYESTER CLARIANT INTERNATIONAL LTD (CH) 2011-10-06 WO disclosed
US-20110095109-A1 Process for Producing Polyester Pellets CLARIANT FINANCE (BVI) LIMITED (VG) 2011-04-28 US disclosed
EP-2291428-A1 PROCESS FOR PRODUCING POLYESTER PELLETS Clariant Finance (BVI) Limited (VG) 2011-03-09 EP disclosed
WO-2009152994-A1 PROCESS FOR PRODUCING POLYESTER PELLETS CLARIANT INTERNATIONAL LTD (CH) 2009-12-23 WO disclosed