SCHEMBL4533158

SCHEMBL4533158

Cc1ccccc1S(=O)(=O)N1CCC(CNC(=O)C23CC4CC(CC(C4)C2)C3)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.48
P2RX7 Q99572 1/20 0.45
HPGD P15428 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CACNA1H O95180 1/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.42
CCR1 P32246 1/20 0.42
HSD11B1 P28845 1/20 0.42
EPHX1 P07099 2/20 0.42

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
SCHEMBL4533110 0.94 HPGD (0.46) EPHX2P2RX7HPGDCNR1CNR2
SCHEMBL4542865 0.89 HPGD (0.43) EPHX2P2RX7HPGDCNR1CNR2
SCHEMBL4542824 0.88 HDAC3 (0.52) EPHX2P2RX7HPGDALDH1A1L3MBTL1
SCHEMBL8061058 0.87 HSD11B1 (0.49) HSD11B1
SCHEMBL8059951 0.85 EPHX2 (0.60) EPHX2EPHX1
SCHEMBL4533513 0.85 EPHX2 (0.60) EPHX2EPHX1
SCHEMBL8064755 0.85 KMT2A (0.51) ALDH1A1L3MBTL1LMNAGAASMN1; SMN2
SCHEMBL4541037 0.84 ALDH1A1 (0.61) EPHX2HPGDALDH1A1L3MBTL1LMNA
SCHEMBL4539753 0.83 HDAC3 (0.49) EPHX2P2RX7HPGDALDH1A1LMNA
SCHEMBL4537324 0.82 MEN1 (0.47) L3MBTL1

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
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