SCHEMBL8053633

SCHEMBL8053633

O=C(NCC1CCN(S(=O)(=O)c2cccc(O)c2)C1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 3/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 3/20 0.41
POLB P06746 2/20 0.41
PKM P14618 1/20 0.40
CYP17A1 P05093 2/20 0.38
CYP19A1 P11511 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX12 P18054 1/20 0.38
HSD11B1 P28845 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4535853 0.89 FBP1 (0.46) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL4530583 0.89 EPHX2 (0.46) ALDH1A1HPGDL3MBTL1LMNAUSP2
SCHEMBL8048322 0.89 ALDH1A1 (0.45) ALDH1A1HPGDL3MBTL1LMNAUSP2
SCHEMBL4543002 0.89 ALDH1A1 (0.45) ALDH1A1HPGDL3MBTL1LMNAUSP2
SCHEMBL4542831 0.89 ALDH1A1 (0.53) ALDH1A1HPGDL3MBTL1LMNAGAA
SCHEMBL8064991 0.88 ALDH1A1 (0.49) ALDH1A1HPGDL3MBTL1LMNAGAA
SCHEMBL8060988 0.87 PKM (0.49) ALDH1A1HPGDLMNAUSP2POLB
SCHEMBL4539846 0.87 JAK2 (0.43) ALDH1A1HPGDL3MBTL1LMNAUSP2
SCHEMBL4534329 0.87 PKM (0.49) ALDH1A1HPGDLMNAUSP2POLB
SCHEMBL4539836 0.86 KMT2A (0.49) ALDH1A1LMNAPOLBMEN1KMT2A

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