SCHEMBL9752574

SCHEMBL9752574

CC(=O)c1c(OC(=O)c2ccccc2)cc(OC(=O)c2ccccc2)c(C(C)=O)c1OC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.50
MAPT P10636 6/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
SLC6A3 Q01959 1/20 0.49
PKM P14618 2/20 0.48
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 4/20 0.44
TSHR P16473 1/20 0.44
JAK2 O60674 1/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 3/20 0.44
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL6762604 0.80 ESR1 (0.51) KMT2AMAPTSMN1; SMN2SLC6A3PKM
SCHEMBL11252807 0.78 KMT2A (0.52) KMT2AMAPTSMN1; SMN2SLC6A3PKM
SCHEMBL6761214 0.78 SLC6A3 (0.58) KMT2AMAPTSMN1; SMN2SLC6A3PKM
Acetic Acid SCHEMBL29588064 0.76 KMT2A (0.68) KMT2AMAPTSMN1; SMN2SLC6A3PKM
SCHEMBL5551848 0.75 LMNA (0.64) KMT2AMAPTSMN1; SMN2SLC6A3PKM
SCHEMBL6767307 0.75 KMT2A (0.47) KMT2AMAPTSMN1; SMN2SLC6A3GAA
SCHEMBL3826754 0.74 KMT2A (0.66) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
SCHEMBL6764011 0.74 MAPT (0.55) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
SCHEMBL26490187 0.74 SLC6A3 (0.72) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
SCHEMBL725404 0.73 KMT2A (0.76) KMT2AMAPTSMN1; SMN2SLC6A3ESR1

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
WO-1991009595-A1 ANTI-VIRAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 1991-07-11 WO disclosed