SCHEMBL4299904

SCHEMBL4299904

Cc1ccc2c(C)cc(S(=O)(=O)O)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HIF1A Q16665 1/20 0.47
CASP6 P55212 4/20 0.46
NSD2 O96028 2/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 1/20 0.46
SNCA P37840 1/20 0.45
CYP1A2 P05177 5/20 0.44
PRMT1 Q99873 1/20 0.43
CYP2C9 P11712 2/20 0.43
HSD17B10 Q99714 3/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 3/20 0.40
NT5E P21589 1/20 0.39
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37

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 0.89 CASP6 (0.53) ALDH1A1HIF1ACASP6NSD2DUSP3
SCHEMBL13965477 0.86 ALDH1A1 (0.50) ALDH1A1HIF1ACASP6NSD2DUSP3
SCHEMBL12807708 0.86 SNCA (0.49) ALDH1A1HIF1ACASP6NSD2DUSP3
SCHEMBL15180637 0.84 CASP6 (0.66) ALDH1A1HIF1ACASP6NSD2DUSP3
SCHEMBL8469484 0.84 ALDH1A1 (0.52) ALDH1A1HIF1ACASP6NSD2DUSP3
SCHEMBL16070550 0.83 CASP6 (0.44) ALDH1A1HIF1ACASP6NSD2DUSP3
SCHEMBL10452890 0.81 ALDH1A1 (0.44) ALDH1A1HIF1ACASP6NSD2DUSP3
SCHEMBL14299276 0.80 PRMT1 (0.49) ALDH1A1HIF1ACASP6NSD2DUSP3
SCHEMBL17904229 0.80 CYP1A2 (0.46) ALDH1A1HIF1ACASP6NSD2DUSP3
SCHEMBL18134570 0.80 CASP6 (0.42) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012055481-A1 NON METAL TANNING CLARIANT INTERNATIONAL LTD (CH) 2012-05-03 WO disclosed
WO-2012055483-A1 NON-METAL TANNING PROCESS CLARIANT INTERNATIONAL LTD (CH) 2012-05-03 WO disclosed
EP-1681322-B1 Ink jet ink and ink jet recording method FUJIFILM CORP (JP) 2008-12-24 EP disclosed