SCHEMBL6406532

SCHEMBL6406532

Cc1c(OC(=O)c2ccccc2)ccc(O)c1Sc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
KMT2A Q03164 6/20 0.44
ESR1 P03372 3/20 0.44
ESR2 Q92731 3/20 0.44
MEN1 O00255 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 2/20 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
SLC6A3 Q01959 1/20 0.42
TP53 P04637 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
SERPINE1 P05121 1/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL6463791 0.81 KMT2A (0.53) MAPTKMT2AESR1ESR2MEN1
SCHEMBL27620505 0.79 TP53 (0.41) MAPTKMT2AESR1ESR2MEN1
SCHEMBL2292938 0.74 ESR1 (0.66) MAPTKMT2AESR1ESR2MEN1
SCHEMBL2679682 0.73 KMT2A (0.63) MAPTKMT2AESR1ESR2MEN1
SCHEMBL6406534 0.73 ESR1 (0.56) MAPTKMT2AESR1ESR2MEN1
SCHEMBL16236624 0.71 KMT2A (0.47) MAPTKMT2AESR1ESR2MEN1
SCHEMBL27801075 0.71 KMT2A (0.56) MAPTKMT2AESR1ESR2MEN1
SCHEMBL6412428 0.71 SIRT1 (0.50) MAPTKMT2AMEN1HSD17B10TDP1
SCHEMBL9744231 0.71 MAPT (0.56) MAPTKMT2AESR1ESR2MEN1
SCHEMBL28663041 0.70 KMT2A (0.52) MAPTKMT2AESR1ESR2MEN1

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
US-20050196819-A1 Methods and compositions to lower plasma cholesterol levels ATHEROGENICS PHARMACEUTICALS, INC. 2005-09-08 US disclosed
US-6887712-B1 Methods and compositions to lower plasma cholesterol levels ATHEROGENICS, INC. (US) 2005-05-03 US disclosed