SCHEMBL4543065

SCHEMBL4543065

O=C(CC1CCN(S(=O)(=O)c2ccc(Cl)cc2Cl)C1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.48
HTT P42858 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 2/20 0.48
TSHR P16473 2/20 0.48
ALOX12 P18054 1/20 0.48
EPHX1 P07099 2/20 0.46
CNR1 P21554 2/20 0.43
ACLY P53396 1/20 0.42
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
CNR2 P34972 1/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TRPV4 Q9HBA0 2/20 0.40
KCNT1 Q5JUK3 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
SCHEMBL4537389 0.95 HTT (0.46) EPHX2HTTNPSR1LMNATSHR
SCHEMBL4533128 0.95 EPHX1 (0.51) EPHX2HTTNPSR1LMNATSHR
SCHEMBL8070996 0.88 HDAC3 (0.52) EPHX2HTTNPSR1LMNATSHR
SCHEMBL4535493 0.88 HDAC3 (0.52) EPHX2HTTNPSR1LMNATSHR
SCHEMBL8063498 0.87 POLB (0.39) EPHX2HTTNPSR1LMNATSHR
SCHEMBL4535935 0.87 EPHX2 (0.52) EPHX2HTTNPSR1LMNATSHR
SCHEMBL4536776 0.86 LMNA (0.62) EPHX2HTTNPSR1LMNATSHR
SCHEMBL8053303 0.84 HSD11B1 (0.52) HTTNPSR1LMNATSHRALOX12
SCHEMBL4539809 0.84 HSD11B1 (0.52) HTTNPSR1LMNATSHRALOX12
SCHEMBL4539701 0.83 HDAC3 (0.47) EPHX2HTTNPSR1LMNATSHR

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