SCHEMBL8069489

SCHEMBL8069489

O=C(CC1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.49
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
TAS1R2 Q8TE23 2/20 0.47
MAPT P10636 4/20 0.46
CNR1 P21554 1/20 0.46
KDM4E B2RXH2 1/20 0.45
FAAH O00519 1/20 0.43
P2RX7 Q99572 1/20 0.43
PAK1 Q13153 1/20 0.43
EPHX2 P34913 1/20 0.42
NAMPT P43490 1/20 0.42
ALOX5 P09917 1/20 0.42

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
SCHEMBL4530345 1.00 EPHX1 (0.49) EPHX1LMNATSHRALOX12HTT
SCHEMBL4537470 0.94 TAS1R3 (0.46) EPHX1LMNATSHRALOX12HTT
SCHEMBL4535373 0.89 EPHX2 (0.46) EPHX1LMNATSHRALOX12HTT
SCHEMBL4543056 0.86 EPHX1 (0.57) EPHX1EPHX2
SCHEMBL4542529 0.84 EPHX2 (0.59) EPHX2
SCHEMBL8066384 0.83 USP30 (0.54) EPHX1EPHX2
SCHEMBL4542472 0.83 USP30 (0.54) EPHX1EPHX2
SCHEMBL4533128 0.80 EPHX1 (0.51) EPHX1LMNATSHRALOX12HTT
SCHEMBL4542284 0.79 EPHX2 (0.58) EPHX2
SCHEMBL4537166 0.78 USP30 (0.50) EPHX1EPHX2

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 disclosed