SCHEMBL12679249

SCHEMBL12679249

Cc1cc2cc(S(=O)(=O)O)ccc2c(O)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
HIF1A Q16665 2/20 0.48
CASP6 P55212 3/20 0.47
NSD2 O96028 2/20 0.47
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 1/20 0.47
CYP2C9 P11712 2/20 0.47
CYP1A2 P05177 2/20 0.47
PRMT1 Q99873 1/20 0.44
SNCA P37840 1/20 0.43
HSD17B10 Q99714 2/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
HPGD P15428 1/20 0.42
NT5E P21589 1/20 0.41
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40
ENPP2 Q13822 4/20 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
SCHEMBL1103769 0.79 CASP6 (0.53) ALDH1A1HIF1ACASP6NSD2DUSP3
Potassium SCHEMBL18274860 0.77 CASP6 (0.74) ALDH1A1HIF1ACASP6NSD2DUSP3
SCHEMBL13965477 0.76 ALDH1A1 (0.50) ALDH1A1HIF1ACASP6NSD2DUSP3
SCHEMBL4280353 0.76 ALDH1A1 (0.54) ALDH1A1HIF1ACASP6NSD2DUSP3
SCHEMBL3203561 0.76 ALDH1A1 (0.54) ALDH1A1HIF1ACASP6NSD2DUSP3
SCHEMBL30218699 0.76 CASP6 (0.53) ALDH1A1HIF1ACASP6NSD2DUSP3
SCHEMBL18936305 0.76 CASP6 (0.53) ALDH1A1HIF1ACASP6NSD2DUSP3
SCHEMBL11759576 0.75 ALDH1A1 (0.53) ALDH1A1HIF1ACASP6NSD2DUSP3
SCHEMBL4280346 0.75 ALDH1A1 (0.53) ALDH1A1HIF1ACASP6NSD2DUSP3
SCHEMBL28231658 0.75 CASP6 (0.53) ALDH1A1HIF1ACASP6NSD2DUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273166-B2 Phase change ink compositions and colorants for use in the same XEROX CORPORATION (US) 2012-09-25 US disclosed