SCHEMBL4680716

SCHEMBL4680716

COC(=O)CN[C@H](C)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CASR P41180 2/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
EPHX2 P34913 2/20 0.47
HDAC3 O15379 1/20 0.46
CYP2C9 P11712 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
SSTR4 P31391 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL4684408 0.89 CASR (0.46) MEN1KMT2ACASRLMNAGAA
SCHEMBL14208451 0.86 HDAC3 (0.46) MEN1KMT2ACASRLMNAGAA
SCHEMBL14063803 0.86 CYP1A2 (0.50) MEN1KMT2ACASRLMNAGAA
SCHEMBL16034079 0.85 EPHX2 (0.52) CASRLMNAGAAEPHX2HDAC3
SCHEMBL20377971 0.85 EPHX2 (0.52) CASRLMNAGAAEPHX2HDAC3
SCHEMBL20377967 0.85 EPHX2 (0.52) CASRLMNAGAAEPHX2HDAC3
SCHEMBL14428705 0.81 CASR (0.55) CASRLMNAGAAEPHX2HDAC3
SCHEMBL4848581 0.80 MEN1 (0.48) MEN1KMT2ALMNAGAAEPHX2
SCHEMBL30937716 0.79 ALDH1A1 (0.41) MEN1KMT2ALMNACYP2C9CYP2C19
SCHEMBL9680229 0.78 SMN1; SMN2 (0.54) MEN1KMT2ACASRLMNAGAA

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