SCHEMBL4539653

SCHEMBL4539653

O=C(NCC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1Cl)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 12/20 0.46
EPHX2 P34913 11/20 0.46
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
TSHR P16473 1/20 0.45
ALOX12 P18054 1/20 0.45
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CNR1 P21554 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
SCHEMBL8067471 0.97 EPHX1 (0.46) EPHX1EPHX2LMNAHTTNPSR1
SCHEMBL4541718 0.97 EPHX1 (0.46) EPHX1EPHX2LMNAHTTNPSR1
SCHEMBL4534763 0.89 EPHX1 (0.52) EPHX1EPHX2
SCHEMBL4537224 0.87 P2RX7 (0.43) LMNAHTTNPSR1TSHRALOX12
SCHEMBL4540815 0.87 HTT (0.44) EPHX1EPHX2LMNAHTTNPSR1
SCHEMBL4539998 0.87 LMNA (0.55) EPHX1EPHX2LMNAHTTNPSR1
SCHEMBL4537063 0.86 EPHX2 (0.52) EPHX1EPHX2
SCHEMBL8067423 0.86 EPHX2 (0.52) EPHX1EPHX2
SCHEMBL4539341 0.85 EPHX1 (0.48) EPHX1EPHX2LMNAHTTNPSR1
SCHEMBL4530293 0.84 P2RX7 (0.44)

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