SCHEMBL6406534

SCHEMBL6406534

Cc1c(OC(=O)c2ccccc2)cccc1Sc1ccccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.56
ESR2 Q92731 7/20 0.56
KMT2A Q03164 7/20 0.56
MEN1 O00255 3/20 0.56
HSD17B10 Q99714 3/20 0.56
MAPT P10636 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
JAK2 O60674 1/20 0.56
USP2 O75604 1/20 0.56
GAA P10253 1/20 0.56
ALOX15 P16050 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
POLB P06746 2/20 0.47
SLC6A3 Q01959 1/20 0.47
SERPINE1 P05121 1/20 0.43
LMNA P02545 1/20 0.43
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TOP1 P11387 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
SCHEMBL6406527 0.85 ESR1 (0.52) ESR1ESR2KMT2AMEN1HSD17B10
SCHEMBL2292938 0.85 ESR1 (0.66) ESR1ESR2KMT2AMEN1HSD17B10
SCHEMBL2679682 0.81 KMT2A (0.63) ESR1ESR2KMT2AMEN1HSD17B10
SCHEMBL6349146 0.77 POLB (0.73) ESR1ESR2KMT2AMEN1HSD17B10
SCHEMBL844563 0.76 ESR1 (0.72) ESR1ESR2KMT2AMEN1HSD17B10
SCHEMBL1918507 0.76 KMT2A (0.71) ESR1ESR2KMT2AMEN1HSD17B10
SCHEMBL6463791 0.75 KMT2A (0.53) ESR1ESR2KMT2AMEN1HSD17B10
SCHEMBL28822923 0.74 KMT2A (0.69) ESR1ESR2KMT2AMEN1HSD17B10
SCHEMBL16236552 0.74 ESR1 (0.59) ESR1ESR2KMT2AMEN1HSD17B10
SCHEMBL11202836 0.73 HSD17B10 (0.41) ESR1ESR2KMT2AMEN1HSD17B10

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