SCHEMBL8199145

SCHEMBL8199145

Cc1ccc(S(=O)(=O)OCCc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.54
ACHE P22303 2/20 0.54
LMNA P02545 3/20 0.46
MITF O75030 1/20 0.46
TSHR P16473 1/20 0.44
CA1 P00915 6/20 0.44
CA2 P00918 6/20 0.44
HSD11B1 P28845 2/20 0.44
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GRIA4 P48058 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B3 P37058 1/20 0.40
GPR35 Q9HC97 1/20 0.40

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
SCHEMBL11204014 0.92 BCHE (0.51) BCHEACHELMNAMITFTSHR
SCHEMBL6906905 0.89 CA1 (0.50) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL18289524 0.89 CA1 (0.50) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL6311561 0.87 BCHE (0.55) BCHEACHELMNACA1CA2
SCHEMBL992542 0.85 STAT3 (0.41) BCHEACHELMNACA1CA2
SCHEMBL10724931 0.85 BCHE (0.50) BCHEACHELMNAMITFTSHR
SCHEMBL17023751 0.83 BCHE (0.43) BCHEACHELMNACA1HSD11B1
SCHEMBL28575707 0.83 BRS3 (0.43) BCHEACHELMNAALDH1A1MEN1
SCHEMBL17023777 0.83 CA1 (0.39) BCHEACHECA1CA2ALDH1A1
SCHEMBL948326 0.82 CNR2 (0.56) BCHEACHELMNATSHRCA1

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-0999205-A1 AMINOCYCLOALKANE COMPOUNDS Mitsubishi-Tokyo Pharmaceuticals, Inc. (JP) 2000-05-10 EP disclosed