SCHEMBL14540604

SCHEMBL14540604

O=C(N1CCOCC1)N1CCC[C@H](NC(=O)C23CC4CC(C2)C(O)[C@H](C4)C3)C1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.42
ALDH1A1 P00352 3/20 0.40
EPHX2 P34913 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.37
DPP4 P27487 1/20 0.36
F2R P25116 1/20 0.36
HSD11B1 P28845 1/20 0.35
GAA P10253 1/20 0.35
CNR2 P34972 1/20 0.35
MAPT P10636 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
SCHEMBL4793588 1.00 EPHX1 (0.42) EPHX1ALDH1A1EPHX2SMN1; SMN2LMNA
SCHEMBL4794135 0.92 EPHX1 (0.46) EPHX1ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL14540867 0.92 EPHX1 (0.46) EPHX1ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL4793633 0.91 EPHX1 (0.45) EPHX1ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL4767981 0.88 EPHX1 (0.43) EPHX1ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL4767944 0.87 EPHX1 (0.56) EPHX1ALDH1A1EPHX2SMN1; SMN2LMNA
SCHEMBL4770967 0.87 EPHX1 (0.47) EPHX1ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL5441881 0.87 EPHX1 (0.56) EPHX1ALDH1A1EPHX2SMN1; SMN2LMNA
SCHEMBL4767897 0.86 EPHX1 (0.49) EPHX1ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL5437855 0.86 EPHX1 (0.52) EPHX1ALDH1A1SMN1; SMN2LMNANPSR1

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-2007038138-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-04-05 WO disclosed