SCHEMBL4536795

SCHEMBL4536795

O=C(CC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.54
ALDH1A1 P00352 4/20 0.53
LMNA P02545 3/20 0.53
TSHR P16473 1/20 0.53
ALOX12 P18054 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.50
PKM P14618 2/20 0.49
KMT2A Q03164 2/20 0.47
EPHX2 P34913 1/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 2/20 0.46
CCR3 P51677 1/20 0.46
GAA P10253 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46

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
SCHEMBL4539274 0.94 CYP3A4 (0.51) EPHX1ALDH1A1LMNATSHRALOX12
SCHEMBL4540917 0.89 LMNA (0.53) EPHX1ALDH1A1LMNATSHRALOX12
SCHEMBL4542983 0.89 EPHX1 (0.57) EPHX1ALDH1A1LMNATSHRALOX12
SCHEMBL4536605 0.89 LMNA (0.67) EPHX1ALDH1A1LMNATSHRALOX12
SCHEMBL4542094 0.89 NPC1 (0.57) EPHX1ALDH1A1LMNATSHRALOX12
SCHEMBL4530361 0.89 CYP3A4 (0.59) EPHX1ALDH1A1LMNATSHRALOX12
SCHEMBL8069615 0.86 EPHX1 (0.47) EPHX1ALDH1A1LMNATSHRALOX12
SCHEMBL4541877 0.86 PKM (0.56) EPHX1ALDH1A1LMNATSHRALOX12
SCHEMBL3928608 0.84 EPHX2 (0.61) ALDH1A1LMNATSHRALOX12HTT
SCHEMBL4542516 0.83 LMNA (0.49) EPHX1ALDH1A1LMNATSHRALOX12

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 3 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
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO disclosed