SCHEMBL4530583

SCHEMBL4530583

Cc1cccc(S(=O)(=O)N2CCC(CNC(=O)C34CC5CC(CC(C5)C3)C4)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.46
ALDH1A1 P00352 5/20 0.44
GAA P10253 2/20 0.44
POLB P06746 1/20 0.44
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 1/20 0.41
FBP1 P09467 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
USP5 P45974 1/20 0.40
HSD11B1 P28845 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
SCHEMBL4537741 0.95 EPHX2 (0.44) EPHX2ALDH1A1GAAPOLBLMNA
SCHEMBL4541162 0.94 EPHX2 (0.50) EPHX2ALDH1A1GAAPOLBUSP2
SCHEMBL4541251 0.90 EPHX2 (0.45) EPHX2ALDH1A1GAAPOLBUSP2
SCHEMBL8053633 0.89 ALDH1A1 (0.43) ALDH1A1GAAPOLBUSP2LMNA
SCHEMBL4535853 0.88 FBP1 (0.46) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL8048322 0.88 ALDH1A1 (0.45) ALDH1A1GAAPOLBUSP2LMNA
SCHEMBL4543002 0.88 ALDH1A1 (0.45) ALDH1A1GAAPOLBUSP2LMNA
SCHEMBL4532816 0.88 TP53 (0.48) ALDH1A1GAAPOLBLMNAMEN1
SCHEMBL4542831 0.88 ALDH1A1 (0.53) EPHX2ALDH1A1GAALMNAMEN1
SCHEMBL4534329 0.88 PKM (0.49) ALDH1A1POLBUSP2LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO claimed
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO disclosed
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO disclosed