SCHEMBL14947341

SCHEMBL14947341

CCCCCCCCCCc1cc(Oc2ccccc2)ccc1S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.46
TSHR P16473 1/20 0.44
CETP P11597 1/20 0.44
STAT3 P40763 1/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC3 O15379 1/20 0.40
LIPG Q9Y5X9 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL25061412 0.90 TSHR (0.41) LTA4HTSHRMEN1ALDH1A1KMT2A
SCHEMBL14950455 0.90 TSHR (0.41) LTA4HTSHRMEN1ALDH1A1KMT2A
SCHEMBL16272791 0.84 MEN1 (0.46) TSHRPPARAMEN1ALDH1A1KMT2A
SCHEMBL14991914 0.83 SLC7A11 (0.44) LTA4HMMP2MMP9MMP8MMP13
SCHEMBL6864718 0.82 PPARA (0.43) LTA4HTSHRCETPPPARGPPARA
SCHEMBL19409729 0.81 TSHR (0.41) LTA4HTSHRPPARGPPARAMEN1
SCHEMBL2810879 0.81 TSHR (0.41) LTA4HTSHRPPARGPPARAMEN1
SCHEMBL2635453 0.81 TSHR (0.41) LTA4HTSHRPPARGPPARAMEN1
Ammonia Solution, Strong SCHEMBL28824652 0.80 TSHR (0.40) LTA4HTSHRPPARGPPARAMEN1
SCHEMBL28851771 0.80 TSHR (0.40) LTA4HTSHRPPARGPPARAMEN1

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-20130122418-A1 Alkyl Benzene Sulfonate Surfactant Having An Ammonium Salt Counter Ion For Reduced Sodium Content In Emulsions XEROX CORPORATION (US) 2013-05-16 US disclosed