SCHEMBL8069190

SCHEMBL8069190

COCCOCn1c(C(=O)c2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
GLA P06280 3/20 0.36
GAA P10253 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
PKM P14618 2/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7032311 0.88 KMT2A (0.39) KMT2AMEN1TDP1ALDH1A1TP53
SCHEMBL12752205 0.88 KMT2A (0.48) KMT2AMEN1TDP1ALDH1A1KDM4E
SCHEMBL12752441 0.83 KMT2A (0.35) KMT2AMEN1TDP1ALDH1A1KDM4E
SCHEMBL12752268 0.83 MEN1 (0.35) KMT2AMEN1TDP1
SCHEMBL12752270 0.82 MEN1 (0.33) KMT2AMEN1TDP1HTT
SCHEMBL12752442 0.82 KDM4E (0.33) KMT2AMEN1TDP1ALDH1A1KDM4E
SCHEMBL12828760 0.82 MEN1 (0.32) KMT2AMEN1TDP1ALDH1A1KDM4E
SCHEMBL12752174 0.82 KMT2A (0.40) KMT2AMEN1TDP1ALDH1A1KDM4E
SCHEMBL12752207 0.81 KMT2A (0.35) KMT2AMEN1TDP1ALDH1A1KDM4E
SCHEMBL12752333 0.81 KMT2A (0.35) KMT2AMEN1TDP1ALDH1A1KDM4E

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-6136815-A VIRICIDES FOR TREATMENT OF AIDS KOREA RESEARCH INST. OF CHEM. TECH. (KR) 2000-10-24 US disclosed
EP-0912526-A1 ANTIVIRAL 2,4-PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Korea Research Institute of Chemical Technology (KR) 1999-05-06 EP disclosed
WO-1997043266-A1 ANTIVIRAL 2,4-PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1997-11-20 WO disclosed