SCHEMBL8580812

SCHEMBL8580812

CC(=O)c1cc(Cc2cc(C(C)=O)cc(C(C)=O)c2)cc(C(C)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.58
LMNA P02545 3/20 0.50
CA5A P35218 1/20 0.50
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HMGB1 P09429 1/20 0.38
CXCL12 P48061 1/20 0.38
PKM P14618 1/20 0.38
PRKCI P41743 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.35
SHBG P04278 1/20 0.35
GSK3B P49841 1/20 0.35
MAOB P27338 1/20 0.35
IL4I1 Q96RQ9 1/20 0.35

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
SCHEMBL15835583 0.91 KMT2A (0.50) KMT2ALMNACA5AMAPTNPSR1
SCHEMBL14067800 0.89 KMT2A (0.48) KMT2ALMNACA5AMAPTNPSR1
SCHEMBL669554 0.83 CA5A (0.67) KMT2ALMNACA5AMAPTPKM
SCHEMBL25999808 0.82 CA5A (0.48) KMT2ALMNACA5AMAPTPKM
SCHEMBL28733940 0.78 CYP4F2 (0.46) KMT2ALMNACA5AMAPTPKM
SCHEMBL10498757 0.77 RXRA (0.48) KMT2ALMNACA5APKMPOLB
SCHEMBL12253687 0.77 CA5A (0.48) KMT2ALMNACA5AMAPTPKM
SCHEMBL12150535 0.77 LMNA (0.62) KMT2ALMNAMAOB
SCHEMBL6480011 0.77 LMNA (0.62) KMT2ALMNAMAPTMAOBIL4I1
SCHEMBL11989139 0.77 LMNA (0.44) KMT2ALMNACA5AMAPTHPGD

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
US-5792840-A SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES SANKYO COMPANY, LIMITED (JP) 1998-08-11 US disclosed
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP disclosed