SCHEMBL4539341

SCHEMBL4539341

O=C(NCC1CCCCN1S(=O)(=O)c1cccc(Cl)c1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.48
EPHX2 P34913 7/20 0.48
HSD11B1 P28845 1/20 0.47
LMNA P02545 2/20 0.44
USP2 O75604 1/20 0.44
BDKRB1 P46663 1/20 0.43
RAB9A P51151 1/20 0.43
FBP1 P09467 1/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL4542335 0.97 EPHX1 (0.48) EPHX1EPHX2HSD11B1LMNAUSP2
SCHEMBL4542096 0.89 HTR1A (0.47) EPHX1EPHX2LMNAUSP2RAB9A
SCHEMBL4539998 0.89 LMNA (0.55) EPHX1EPHX2LMNATSHRALOX12
SCHEMBL4538141 0.87 BDKRB1 (0.46) HSD11B1BDKRB1RAB9A
SCHEMBL4543050 0.87 BDKRB1 (0.52) HSD11B1LMNAUSP2BDKRB1RAB9A
SCHEMBL4537195 0.86 HTR1A (0.50) EPHX1EPHX2LMNAUSP2RAB9A
SCHEMBL8064947 0.86 HTR1A (0.50) EPHX1EPHX2LMNAUSP2RAB9A
SCHEMBL4537316 0.86 LMNA (0.56) EPHX1EPHX2LMNARAB9ATSHR
SCHEMBL4542345 0.86 EPHX2 (0.56) EPHX1EPHX2RAB9A
SCHEMBL4539653 0.85 EPHX1 (0.46) EPHX1EPHX2LMNATSHRALOX12

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