SCHEMBL4684408

SCHEMBL4684408

CC(C)OC(=O)CN[C@H](C)c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
BTN3A1 O00481 1/20 0.46
EPHX2 P34913 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC3 O15379 1/20 0.44
CYP2C9 P11712 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SSTR4 P31391 1/20 0.44

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
SCHEMBL4680716 0.89 MEN1 (0.50) CASRLMNAGAAEPHX2MEN1
SCHEMBL14208451 0.84 HDAC3 (0.46) CASRLMNAGAAEPHX2MEN1
SCHEMBL16034079 0.82 EPHX2 (0.52) CASRLMNAGAAEPHX2HDAC3
SCHEMBL20377971 0.82 EPHX2 (0.52) CASRLMNAGAAEPHX2HDAC3
SCHEMBL20377967 0.82 EPHX2 (0.52) CASRLMNAGAAEPHX2HDAC3
SCHEMBL14428705 0.79 CASR (0.55) CASRLMNAGAAEPHX2HDAC3
SCHEMBL14063803 0.78 CYP1A2 (0.50) CASRLMNAGAAEPHX2MEN1
SCHEMBL4676209 0.76 APAF1 (0.54) CASRLMNAMEN1KMT2A
SCHEMBL4676206 0.76 APAF1 (0.54) CASRLMNAMEN1KMT2A
SCHEMBL9680229 0.76 SMN1; SMN2 (0.54) CASRLMNAGAAEPHX2MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945448-B1 5-ALKOXY-2(3H)-OXAZOLONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF UBE INDUSTRIES (JP) 2008-11-26 EP disclosed
US-6020496-A 5-alkoxy-2(3H)-oxazolone compounds and process for preparing the same UBE INDUSTRIES, LTD. (JP) 2000-02-01 US disclosed
EP-0945448-A1 5-ALKOXY-2(3H)-OXAZOLONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF UBE INDUSTRIES, LTD. (JP) 1999-09-29 EP disclosed