SCHEMBL4677219

SCHEMBL4677219

COC(=O)[C@H](C)N[C@H](C)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
ACP3 P15309 4/20 0.49
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
KDM1A O60341 1/20 0.46
APAF1 O14727 1/20 0.46
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MEN1 O00255 1/20 0.45
SIGMAR1 Q99720 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
SCHEMBL4677216 1.00 KMT2A (0.58) KMT2AACP3ALDH1A1HPGDMAPT
SCHEMBL4679414 0.85 KMT2A (0.58) KMT2AALDH1A1MAPTL3MBTL1PTGS1
SCHEMBL4679411 0.85 KMT2A (0.58) KMT2AALDH1A1MAPTL3MBTL1PTGS1
SCHEMBL29580959 0.84 MMP8 (0.54) KMT2AACP3ALDH1A1KDM4EAPAF1
SCHEMBL13721351 0.84 ESR1 (0.50) KMT2AALDH1A1HPGDKDM4EMMP9
SCHEMBL7365794 0.83 ACP3 (0.50) KMT2AACP3ALDH1A1HPGDHSD17B10
SCHEMBL5513822 0.83 ACP3 (0.50) KMT2AACP3ALDH1A1HPGDHSD17B10
SCHEMBL3823989 0.82 APAF1 (0.55) KMT2AACP3ALDH1A1HPGDHSD17B10
SCHEMBL6809827 0.82 APAF1 (0.55) KMT2AACP3ALDH1A1HPGDHSD17B10
SCHEMBL18722284 0.82 APAF1 (0.55) KMT2AACP3ALDH1A1HPGDHSD17B10

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