SCHEMBL4535571

SCHEMBL4535571

CCCCNC(=O)N1CCC(CNC(=O)N[C]2CCCCCCC2)C1.[CH2].[CH2]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
NR1D1 P20393 2/20 0.39
HTT P42858 1/20 0.39
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PKM P14618 1/20 0.38
BRD4 O60885 1/20 0.37
MAPK1 P28482 1/20 0.37
NR1H3 Q13133 1/20 0.37
NR1D2 Q14995 1/20 0.37
EPHX2 P34913 2/20 0.36
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL4537103 0.81 KDM4E (0.54) LMNAHTTPKMKMT2AMAPT
SCHEMBL4539333 0.80 KMT2A (0.56) LMNABRD4EPHX2KMT2AMEN1
SCHEMBL4537217 0.78 BRD4 (0.55) LMNAHTTTDP1BRD4MAPT
SCHEMBL4535726 0.77 ELOVL6 (0.41) LMNAMAPK1EPHX2CTSDBACE1
SCHEMBL4542442 0.76 BRD4 (0.44) LMNATPSAB1TDP1BRD4MAPK1
SCHEMBL4541042 0.75 FAAH (0.53) BRD4EPHX2KMT2AMAPTMEN1
SCHEMBL4537350 0.75 EPHX2 (0.43) LMNAHTTEPHX2
SCHEMBL4542312 0.74 EPHX2 (0.61) EPHX2
SCHEMBL4535122 0.74 KMT2A (0.60) BRD4KMT2AMEN1
SCHEMBL4535568 0.74 EPHX2 (0.64) 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 1 patent. 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