SCHEMBL7701505

SCHEMBL7701505

CC(=O)OC(C#CCSCC#CC(OC(C)=O)c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
PABPC1 P11940 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
TSHR P16473 1/20 0.38
GLS O94925 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
CYP19A1 P11511 2/20 0.35
PTGS2 P35354 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL11301580 0.78 KMT2A (0.52) KMT2AMEN1ALDH1A1CYP3A4PABPC1
SCHEMBL6536090 0.76 MEN1 (0.35) KMT2AMEN1ALDH1A1TSHRCHRM2
SCHEMBL465593 0.75 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1CYP3A4PABPC1
SCHEMBL7225521 0.75 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1CYP3A4PABPC1
SCHEMBL17729332 0.75 KMT2A (0.53) KMT2AMEN1ALDH1A1CYP3A4PABPC1
SCHEMBL10402999 0.74 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1CYP3A4PABPC1
SCHEMBL2835326 0.74 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1CYP3A4PABPC1
SCHEMBL7699172 0.74 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1CYP3A4PABPC1
SCHEMBL18367774 0.74 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1CYP3A4PABPC1
SCHEMBL7998269 0.72 PTGS2 (0.42) KMT2AMEN1ALDH1A1CYP3A4PABPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263429-A1 ANTIVIRAL THERAPY Universiteit Utrecht (NL) 2002-12-11 EP disclosed
WO-2001068086-A1 ANTIVIRAL THERAPY UNIVERSITEIT UTRECHT (NL) 2001-09-20 WO disclosed