SCHEMBL4680133

SCHEMBL4680133

C[C@H](NCC(=O)Oc1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
APAF1 O14727 1/20 0.53
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP3A4 P08684 2/20 0.45
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
SMPD1 P17405 1/20 0.45
DRD1 P21728 1/20 0.45
TBXA2R P21731 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45
CASR P41180 1/20 0.45
HTR2B P41595 1/20 0.45

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
SCHEMBL2408159 0.85 APAF1 (0.57) ALDH1A1APAF1MEN1KMT2ACYP3A4
SCHEMBL2408156 0.85 APAF1 (0.57) ALDH1A1APAF1MEN1KMT2ACYP3A4
SCHEMBL6809830 0.85 APAF1 (0.57) ALDH1A1APAF1MEN1KMT2ACYP3A4
SCHEMBL4676209 0.82 APAF1 (0.54) ALDH1A1APAF1MEN1KMT2ACYP3A4
SCHEMBL4676206 0.82 APAF1 (0.54) ALDH1A1APAF1MEN1KMT2ACYP3A4
SCHEMBL25297216 0.81 APAF1 (0.53) ALDH1A1APAF1MEN1KMT2ACYP3A4
SCHEMBL25831273 0.81 APAF1 (0.53) ALDH1A1APAF1MEN1KMT2ACYP3A4
SCHEMBL19193984 0.79 L3MBTL1 (0.54) APAF1MEN1KMT2ACYP3A4CHRM2
SCHEMBL27570822 0.79 L3MBTL1 (0.54) APAF1MEN1KMT2ACYP3A4CHRM2
SCHEMBL27551142 0.79 L3MBTL1 (0.54) APAF1MEN1KMT2ACYP3A4CHRM2

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