SCHEMBL24259916

SCHEMBL24259916

Cc1ccc(S(=O)(=O)O)cc1CC(C)c1cc(S(=O)(=O)O)c2cccc(C(C)C)c2c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
SENP2 Q9HC62 3/20 0.33
SUMO2 P61956 2/20 0.33
SUMO1 P63165 2/20 0.33
SENP7 Q9BQF6 2/20 0.33
ATIC P31939 1/20 0.33
CYP1A2 P05177 1/20 0.33
FABP3 P05413 1/20 0.32
FABP4 P15090 1/20 0.32
FABP5 Q01469 1/20 0.32
SENP3 Q9H4L4 2/20 0.32
SENP1 Q9P0U3 2/20 0.32
NLRP3 Q96P20 2/20 0.32
ENPP2 Q13822 1/20 0.31
CASP6 P55212 1/20 0.31
MPL P40238 1/20 0.30

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
SCHEMBL24259917 0.77 FABP3 (0.49) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL21358833 0.69 CYP1A2 (0.39) HTTCYP1A2
SCHEMBL10438005 0.68 CASP6 (0.55) CYP1A2FABP3FABP4FABP5NLRP3
SCHEMBL2986685 0.68 CYP1A2 (0.41) HTTCYP1A2CASP6
SCHEMBL2337810 0.68 ALDH1A1 (0.38) HTTCYP1A2CASP6
SCHEMBL7790997 0.67 TTR (0.55) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL6681082 0.67 NR3C1 (0.38) HTTCYP1A2
SCHEMBL8928152 0.67 NR3C1 (0.38) HTTCYP1A2
SCHEMBL8686442 0.66 CYP1A2 (0.37) HTTCYP1A2
SCHEMBL8686868 0.66 CYP1A2 (0.37) HTTCYP1A2

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-11254881-B2 Methods of using ionic liquids as demulsifiers BAKER HUGHES HOLDINGS LLC (US) 2022-02-22 US disclosed