SCHEMBL8325647

SCHEMBL8325647

COc1cc(CN(CC(=O)O)CC(C)N(CC(=O)O)Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
PTGS2 P35354 1/20 0.40
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MEN1 O00255 1/20 0.38
MMP3 P08254 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL2164198 0.86 PTGS2 (0.46) KMT2APTGS2TP53HSP90AA1MEN1
SCHEMBL8421338 0.85 PTGS2 (0.48) KMT2APTGS2TP53HSP90AA1MEN1
SCHEMBL7772904 0.85 KMT2A (0.37) KMT2APTGS2TP53HSP90AA1MEN1
SCHEMBL6670969 0.84 KDM4E (0.45) KMT2APTGS2TP53HSP90AA1MEN1
SCHEMBL8325511 0.83 MAPK1 (0.39) KMT2APTGS2TP53HSP90AA1MEN1
Hydrochloric Acid SCHEMBL7645327 0.83 KDM4E (0.44) KMT2APTGS2TP53HSP90AA1MEN1
SCHEMBL8326095 0.83 KDM4E (0.44) KMT2APTGS2TP53HSP90AA1MEN1
SCHEMBL7771679 0.80 KMT2A (0.35) KMT2APTGS2TP53HSP90AA1MEN1
SCHEMBL7772891 0.80 KMT2A (0.37) KMT2APTGS2TP53HSP90AA1MEN1
SCHEMBL6716017 0.80 L3MBTL1 (0.45) KMT2APTGS2TP53HSP90AA1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0755917-B1 N,N'-di(aralkyl) N,N'-di(carboxyalkyl) alkylen- diamino-derivatives, N-(aralkyl) N'-(carboxyalkyl) N,N'-di(carboxyalkyl) alkylen- diamino-derivatives and N,N\"-di(aralkyl)N,N',N\"-tri(carboxyalkyl)dialkylen triamino derivatives and their use in pharmacy and cosmetics OREAL (FR) 1998-04-08 EP claimed
JP-9132556-A None JP disclosed
US-5929112-A USE IN PHARMACEUTICALS OR COSMETICS AS ANTIOXIDANTS, IMPROVED BIOAVAILABILITY L'OREAL (FR) 1999-07-27 US disclosed
JP-H09132556-A N,N'-DI(ARALKYL)-N,N'-DI(CARBOXYALKYL)ALKYLENEDI-OR TRIMITE AND N-(ARALKYL)-N'-(CARBOXYALKYL)-N,N'-DI(CARBOXYALKYL) ALKYLENEDI-OR TRIAMINE L'OREAL SA 1997-05-20 JP disclosed