SCHEMBL4400072

SCHEMBL4400072

Cc1ccc(S(=O)(=O)O)c(C)c1.Cc1cccc(S(=O)(=O)O)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
RAPGEF4 Q8WZA2 1/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
ALOX12 P18054 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 4/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
MEP1B Q16820 1/20 0.40
MEN1 O00255 1/20 0.40
MAP1LC3B Q9GZQ8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
F2 P00734 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ATM Q13315 1/20 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
SCHEMBL29454656 0.86 MEP1B (0.49) GAARAPGEF4ALDH1A1HPGDMAPT
SCHEMBL4400073 0.86 MYC (0.46) GAARAPGEF4ALDH1A1KMT2AMAPK1
SCHEMBL31506947 0.86 MYC (0.46) GAARAPGEF4ALDH1A1KMT2AMAPK1
SCHEMBL3780 0.86 MYC (0.46) GAARAPGEF4ALDH1A1KMT2AMAPK1
SCHEMBL26645 0.86 MEP1B (0.49) GAARAPGEF4ALDH1A1HPGDMAPT
SCHEMBL28744037 0.84 MYC (0.46) GAARAPGEF4POLBKMT2AMEN1
SCHEMBL360362 0.84 MYC (0.44) GAARAPGEF4ALDH1A1KMT2AMAPK1
SCHEMBL6908120 0.84 MEP1B (0.47) GAARAPGEF4ALDH1A1HPGDMAPT
SCHEMBL3105642 0.84 MEP1B (0.47) GAARAPGEF4ALDH1A1HPGDMAPT
SCHEMBL2815041 0.84 MYC (0.44) GAARAPGEF4ALDH1A1KMT2AMAPK1

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
EP-1746150-B1 Alkylaryl sulfonate detergent mixture derived from linear olefins CHEVRON ORONITE SA (FR) 2009-12-16 EP claimed