SCHEMBL4536688

SCHEMBL4536688

COc1ccc(S(=O)(=O)N2CCCCC2CC(=O)NC23CC4CC(CC(C4)C2)C3)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.51
BDKRB1 P46663 1/20 0.42
LMNA P02545 3/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CNR2 P34972 2/20 0.41
FAAH O00519 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 1/20 0.39
EPHX1 P07099 1/20 0.39

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
SCHEMBL4538117 0.88 FKBP1A (0.48) FKBP1ALMNANPSR1MEN1KMT2A
SCHEMBL4535199 0.86 MMP1 (0.53) BDKRB1NPC1RAB9ACNR2HCRTR1
SCHEMBL4538162 0.85 KMT2A (0.52) LMNAMEN1KMT2ACNR2FAAH
SCHEMBL4539970 0.84 EPHX2 (0.49) FKBP1ALMNATSHRMEN1KMT2A
SCHEMBL4542205 0.83 RAB9A (0.52) BDKRB1NPC1RAB9ACNR2HCRTR1
SCHEMBL4537168 0.82 RAB9A (0.47) FKBP1ALMNATSHRNPSR1NPC1
SCHEMBL4535169 0.82 HTR7 (0.54) BDKRB1LMNAMEN1KMT2ARAB9A
SCHEMBL4536597 0.82 CYP19A1 (0.54) FKBP1ALMNAMEN1KMT2ANPC1
SCHEMBL4540815 0.80 HTT (0.44) BDKRB1LMNATSHRNPSR1GAA
SCHEMBL4537814 0.80 EPHX2 (0.44) KMT2ANPC1RAB9ACNR2SMN1; SMN2

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