SCHEMBL8940865

SCHEMBL8940865

CC(=O)C(C)CS(=O)(=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.49
EGFR P00533 1/20 0.47
ENPP1 P22413 4/20 0.45
ENPP2 Q13822 4/20 0.45
ENPP3 O14638 3/20 0.45
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
ALDH1A1 P00352 5/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
RECQL P46063 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL6129860 0.87 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1MAPTRECQL
SCHEMBL7274595 0.80 PPARG (0.50) PPARGEGFRENPP1ENPP2ENPP3
SCHEMBL1823684 0.79 KMT2A (0.52) PPARGENPP1ENPP2ENPP3KMT2A
SCHEMBL7695463 0.78 PPARG (0.52) PPARGENPP1ENPP2ENPP3KMT2A
SCHEMBL18179825 0.77 MEN1 (0.60) PPARGENPP1ENPP2ENPP3KMT2A
SCHEMBL9852204 0.77 MEN1 (0.60) PPARGENPP1ENPP2ENPP3KMT2A
SCHEMBL4126086 0.77 MEN1 (0.60) PPARGENPP1ENPP2ENPP3KMT2A
SCHEMBL1827022 0.76 KMT2A (0.52) PPARGENPP1ENPP2ENPP3KMT2A
SCHEMBL1827851 0.76 CNR1 (0.53) PPARGENPP1ENPP2ENPP3KMT2A
Iodide SCHEMBL22068772 0.75 CA2 (0.59) PPARGENPP1ENPP2ENPP3KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5565470-A HYPOTENSIVE OR ANTIARRHYTHMIA AGENTS, ALSO FOR TREATMENT OF ANGINA OR GLAUCOMA SANOFI (FR) 1996-10-15 US disclosed
US-5340820-A Useful for treatment of ocular diseases, angina pectoris, hypertension and arrhythmia ELF SANOFI (FR) 1994-08-23 US disclosed