SCHEMBL24259917

SCHEMBL24259917

CC(C)c1cc(S(=O)(=O)O)c2cccc(C(C)C)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 2/20 0.49
FABP4 P15090 2/20 0.49
FABP5 Q01469 1/20 0.49
CYP1A2 P05177 2/20 0.40
TTR P02766 1/20 0.40
MPL P40238 4/20 0.38
SOAT2 O75908 1/20 0.38
MYC P01106 1/20 0.38
SOAT1 P35610 1/20 0.38
MAP2K3 P46734 1/20 0.38
SLC9A1 P19634 1/20 0.37
FAAH O00519 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
GABRA1 P14867 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
GABRB1 P18505 1/20 0.36

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
SCHEMBL7790997 0.82 TTR (0.55) FABP3FABP4FABP5CYP1A2TTR
SCHEMBL9444133 0.79 ALDH1A1 (0.46) FABP3FABP4FABP5CYP1A2MPL
SCHEMBL24259916 0.77 HTT (0.33) FABP3FABP4FABP5CYP1A2MPL
SCHEMBL31420377 0.76 GABRA1 (0.41) FABP3FABP4FABP5CYP1A2SOAT2
SCHEMBL13877943 0.75 TTR (0.46) FABP3FABP4FABP5CYP1A2TTR
SCHEMBL11142954 0.74 AURKA (0.41) FABP3FABP4FABP5CYP1A2TTR
SCHEMBL11333090 0.73 TTR (0.44) FABP3FABP4FABP5CYP1A2TTR
SCHEMBL11483062 0.73 TTR (0.44) FABP3FABP4FABP5CYP1A2TTR
SCHEMBL27388654 0.73 CYP1A2 (0.38) FABP3FABP4FABP5CYP1A2TTR
SCHEMBL11400623 0.73 FABP3 (0.53) FABP3FABP4FABP5SLC9A1CA1

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