SCHEMBL889833

SCHEMBL889833

COc1ccc(C(OCC(O)CNC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
TLR2 O60603 2/20 0.41
MDM2 Q00987 1/20 0.40
MDM4 O15151 1/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.37
BMP1 P13497 1/20 0.36

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
SCHEMBL3423921 1.00 KMT2A (0.46) KMT2ATLR2MDM2MDM4TP53
SCHEMBL20371116 0.92 KMT2A (0.44) KMT2AMDM2MDM4TP53MEN1
SCHEMBL3423912 0.88 KMT2A (0.45) KMT2ATLR2MDM4TP53
SCHEMBL25631518 0.87 KMT2A (0.45) KMT2ATLR2MDM2MDM4TP53
SCHEMBL8843737 0.86 KMT2A (0.52) KMT2ATLR2MDM2MDM4TP53
SCHEMBL3419719 0.86 KMT2A (0.40) KMT2ATLR2MDM2MDM4TP53
SCHEMBL889934 0.86 KMT2A (0.40) KMT2ATLR2MDM2MDM4TP53
SCHEMBL6419856 0.85 MEN1 (0.44) KMT2AMEN1ALDH1A1
SCHEMBL7801461 0.84 KMT2A (0.52) KMT2AMDM2MDM4TP53
SCHEMBL1594877 0.83 MDM2 (0.43) KMT2ATLR2MDM2MDM4TP53

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-8465921-B2 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders ELITECH HOLDING B.V. (NL) 2013-06-18 US disclosed
US-20110275070-A1 HYBRIDIZATION AND MISMATCH DISCRIMINATION USING OLIGONUCLEOTIDES CONJUGATED TO MINOR GROOVE BINDERS EPOCH PHARMACEUTICALS, INC. 2011-11-10 US disclosed
US-7556923-B1 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders EPOCH BIOSCIENCES, INC. (US) 2009-07-07 US disclosed