SCHEMBL4537568

SCHEMBL4537568

O=C(Nc1ccc(Cl)cc1Cl)N1CCCC(CNC(=O)C23CC4CC(CC(C4)C2)C3)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.50
EPHX2 P34913 2/20 0.48
USP30 Q70CQ3 1/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
TAS1R2 Q8TE23 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL4537166 0.87 USP30 (0.50) EPHX2USP30NPC1SMN1; SMN2L3MBTL1
SCHEMBL4539590 0.86 EPHX2 (0.68) EPHX2
SCHEMBL4537571 0.83 NPC1 (0.52) EPHX2USP30NPC1SMN1; SMN2L3MBTL1
SCHEMBL8064542 0.83 USP30 (0.48) EPHX2USP30NPC1SMN1; SMN2L3MBTL1
SCHEMBL4535373 0.81 EPHX2 (0.46) P2RX7EPHX2SMN1; SMN2L3MBTL1KMT2A
SCHEMBL8066384 0.81 USP30 (0.54) EPHX2USP30
SCHEMBL4542472 0.81 USP30 (0.54) EPHX2USP30
SCHEMBL4537172 0.80 USP30 (0.55) EPHX2USP30NPC1SMN1; SMN2L3MBTL1
SCHEMBL4537421 0.80 EPHX2 (0.59) EPHX2
SCHEMBL4537312 0.78 P2RX7 (0.43) P2RX7USP30KMT2AMEN1DRD2

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