SCHEMBL28888148

SCHEMBL28888148

O=C1Cc2c(O)cc(O)cc2OC1c1c(O)cccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.42
PTGS1 P23219 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PTGS2 P35354 3/20 0.42
CYP3A4 P08684 2/20 0.42
SYNJ2 O15056 1/20 0.42
RECQL P46063 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
BACE1 P56817 6/20 0.40
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 3/20 0.40
HSD17B10 Q99714 3/20 0.40
MAPT P10636 3/20 0.40
APEX1 P27695 3/20 0.40
SNCA P37840 3/20 0.40
PKM P14618 2/20 0.40
ALPL P05186 2/20 0.40
POLB P06746 2/20 0.40

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
SCHEMBL27796498 1.00 BCL2 (0.42) BCL2PTGS1MEN1KMT2APTGS2
SCHEMBL29282180 0.83 CYP19A1 (0.45) PTGS1MEN1KMT2APTGS2CYP3A4
SCHEMBL7809366 0.83 CYP19A1 (0.45) PTGS1MEN1KMT2APTGS2CYP3A4
SCHEMBL677662 0.83 TDP1 (0.57) BCL2PTGS1MEN1KMT2APTGS2
SCHEMBL6822731 0.83 TDP1 (0.57) BCL2PTGS1MEN1KMT2APTGS2
SCHEMBL1508796 0.83 MEN1 (0.49) PTGS1MEN1KMT2APTGS2CYP3A4
SCHEMBL349722 0.81 CYP3A4 (0.52) PTGS1MEN1KMT2APTGS2CYP3A4
SCHEMBL3487578 0.81 CYP3A4 (0.52) PTGS1MEN1KMT2APTGS2CYP3A4
SCHEMBL28616927 0.81 RECQL (0.44) PTGS1MEN1KMT2APTGS2CYP3A4
SCHEMBL16151244 0.79 KDM4E (0.54) BCL2PTGS1MEN1KMT2APTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110946935-A Formula for treating multiple myeloma complicated with renal failure 湖北妙威生物医药有限公司 2020-04-03 CN disclosed