SCHEMBL8060768

SCHEMBL8060768

O=C(NCC1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)NC12CC3C[C@H](C1)C[C@H](C3)C2

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
TSHR P16473 1/20 0.57
ALOX12 P18054 1/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
EPHX1 P07099 16/20 0.52
EPHX2 P34913 16/20 0.52
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4540005 1.00 LMNA (0.57) LMNATSHRALOX12HTTNPSR1
SCHEMBL4539041 0.95 LMNA (0.60) LMNATSHRALOX12HTTNPSR1
SCHEMBL4542200 0.90 LMNA (0.54) LMNAEPHX1EPHX2
SCHEMBL4542921 0.90 CYP3A4 (0.57) EPHX1EPHX2KMT2A
SCHEMBL8062904 0.90 EPHX2 (0.59) EPHX1EPHX2
SCHEMBL4539891 0.89 LMNA (0.65) LMNATSHRALOX12HTTNPSR1
SCHEMBL4536850 0.89 EPHX1 (0.52) LMNAEPHX1EPHX2MEN1KMT2A
SCHEMBL4541299 0.88 EPHX1 (0.51) LMNAEPHX1EPHX2
SCHEMBL4537586 0.88 EPHX1 (0.52) LMNATSHRHTTNPSR1EPHX1
SCHEMBL4535087 0.87 EPHX1 (0.49) LMNATSHRALOX12HTTNPSR1

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