SCHEMBL4533128

SCHEMBL4533128

O=C(CC1CCN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.51
EPHX2 P34913 3/20 0.51
HTT P42858 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
ALOX12 P18054 1/20 0.50
CNR1 P21554 2/20 0.45
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.43
CNR2 P34972 1/20 0.43
TRPV4 Q9HBA0 2/20 0.42
KCNT1 Q5JUK3 1/20 0.42
HSD11B1 P28845 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL4543065 0.95 EPHX2 (0.48) EPHX1EPHX2HTTNPSR1LMNA
SCHEMBL4537389 0.90 HTT (0.46) EPHX1EPHX2HTTNPSR1LMNA
SCHEMBL4539839 0.87 HDAC3 (0.54) EPHX1EPHX2HTTNPSR1LMNA
SCHEMBL4536605 0.86 LMNA (0.67) EPHX1EPHX2HTTNPSR1LMNA
SCHEMBL4542374 0.84 HSD11B1 (0.53) EPHX1EPHX2HTTNPSR1LMNA
SCHEMBL4541686 0.84 HTT (0.45) EPHX1EPHX2HTTNPSR1LMNA
SCHEMBL4535935 0.83 EPHX2 (0.52) EPHX1EPHX2HTTNPSR1LMNA
SCHEMBL4540815 0.83 HTT (0.44) EPHX1EPHX2HTTNPSR1LMNA
SCHEMBL8070996 0.82 HDAC3 (0.52) EPHX1EPHX2HTTNPSR1LMNA
SCHEMBL4535493 0.82 HDAC3 (0.52) EPHX1EPHX2HTTNPSR1LMNA

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