Ether

Ether

SCHEMBL7461990

CC(C)(C)OC(=O)NCc1ccc(N2CC(C(=O)N3CCN(CCC(=O)O)CC3)OC2=O)cc1.CCOCC

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.39
ROCK2 O75116 1/20 0.37
NAMPT P43490 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
F10 P00742 4/20 0.33
ITGB3 P05106 3/20 0.33
PRSS1 P07477 3/20 0.33
PRSS2 P07478 3/20 0.33
ITGA2B P08514 3/20 0.33
PRSS3 P35030 3/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL7464219 0.96 SIGMAR1 (0.41) SIGMAR1ROCK2NAMPTSMN1; SMN2MEN1
Water SCHEMBL7461996 0.95 SIGMAR1 (0.41) SIGMAR1ROCK2NAMPTSMN1; SMN2MEN1
SCHEMBL7455413 0.85 SIGMAR1 (0.42) SIGMAR1NAMPTMEN1KMT2APOLB
SCHEMBL8892340 0.81 MEN1 (0.42) SIGMAR1ROCK2NAMPTMEN1KMT2A
SCHEMBL8892459 0.80 F10 (0.41) ROCK2NAMPTMEN1KMT2APOLB
SCHEMBL7458570 0.79 NAMPT (0.43) NAMPTSMN1; SMN2MEN1KMT2ACYP2C19
SCHEMBL7463621 0.79 NAMPT (0.38) ROCK2NAMPTSMN1; SMN2MEN1KMT2A
SCHEMBL7467006 0.78 ITGB3 (0.36) SIGMAR1KMT2AF10ITGB3ITGA2B
SCHEMBL8892115 0.78 NAMPT (0.37) ROCK2NAMPTSMN1; SMN2MEN1KMT2A
SCHEMBL8892614 0.77 HPGD (0.43) NAMPTSMN1; SMN2MEN1KMT2ACYP2C19

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
EP-0697408-B1 1 substituted-phenyl-oxazolidene-2-one derivatives and their use as adhesion-receptor antagonists MERCK PATENT GMBH (DE) 2002-01-23 EP disclosed
EP-0697408-A1 1 substituted-phenyl-oxazolidene-2-one derivatives and their use as adhesion-receptor antagonists MERCK PATENT GmbH (DE) 1996-02-21 EP disclosed