SCHEMBL4537571

SCHEMBL4537571

O=C(NCC1CCCN(C(=O)Nc2ccc(Cl)cc2Cl)C1)[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
EPHX2 P34913 2/20 0.50
USP30 Q70CQ3 1/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.45
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
TAS1R2 Q8TE23 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 2/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 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
SCHEMBL4537172 0.88 USP30 (0.55) NPC1EPHX2USP30KMT2ASMN1; SMN2
SCHEMBL4539592 0.86 EPHX2 (0.70) EPHX2KMT2A
SCHEMBL4537568 0.83 P2RX7 (0.50) NPC1EPHX2USP30KMT2ASMN1; SMN2
SCHEMBL4542474 0.83 USP30 (0.58) NPC1EPHX2USP30KMT2ASMN1; SMN2
SCHEMBL4537424 0.81 EPHX2 (0.63) EPHX2
SCHEMBL8064542 0.79 USP30 (0.48) NPC1EPHX2USP30KMT2ASMN1; SMN2
SCHEMBL4537166 0.78 USP30 (0.50) NPC1EPHX2USP30SMN1; SMN2L3MBTL1
SCHEMBL4537314 0.77 POLB (0.44) EPHX2USP30KMT2AL3MBTL1ALDH1A1
SCHEMBL4543058 0.77 USP30 (0.55) EPHX2USP30KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4531270 0.75 EPHX2 (0.68) EPHX2

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