SCHEMBL6405065

SCHEMBL6405065

CC(Sc1ccc(O)cc1)(C(N)=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
ESR1 P03372 4/20 0.46
ESR2 Q92731 4/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 2/20 0.46
KIF11 P52732 4/20 0.39
KCNN4 O15554 2/20 0.37
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
BLM P54132 1/20 0.36
CHRM3 P20309 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
ME2 P23368 1/20 0.35
ME1 P48163 1/20 0.35
ME3 Q16798 1/20 0.35

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
SCHEMBL11555218 0.75 ESR2 (0.55) MAPTKMT2AESR1ESR2ALDH1A1
SCHEMBL11528914 0.72 CYP2C19 (0.40) MAPTKMT2AALDH1A1CYP3A4KIF11
SCHEMBL6788454 0.72 MEN1 (0.39) MAPTKMT2AESR1ESR2ALDH1A1
SCHEMBL12640844 0.70 ESR2 (0.48) ESR1ESR2ALDH1A1CYP3A4CHRM3
SCHEMBL6405071 0.70 HDAC3 (0.58) MAPTKMT2AKCNN4CYP2C19HIF1A
SCHEMBL3381757 0.70 SLC22A12 (0.50) ESR1ESR2ALDH1A1CYP3A4BLM
Phenol SCHEMBL28224533 0.69 MAPT (0.54) MAPTKMT2AESR1ESR2ALDH1A1
SCHEMBL12640848 0.68 ESR1 (0.46) ESR1ESR2ALDH1A1CYP3A4KIF11
Bicarbonate SCHEMBL23683863 0.67 ESR1 (0.87) MAPTKMT2AESR1ESR2ALDH1A1
Bicarbonate SCHEMBL19723102 0.67 ESR1 (0.87) MAPTKMT2AESR1ESR2ALDH1A1

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