SCHEMBL6412426

SCHEMBL6412426

Cc1c(Sc2ccccc2O)cccc1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
TSHR P16473 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HSD17B10 Q99714 2/20 0.53
HPGD P15428 2/20 0.53
MAPT P10636 2/20 0.53
SIRT1 Q96EB6 1/20 0.49
HSP90AA1 P07900 1/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
PARP1 P09874 1/20 0.38
METAP2 P50579 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 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
SCHEMBL6629741 0.86 SIRT1 (0.65) KDM4ETSHRALDH1A1HSD17B10HPGD
SCHEMBL6412417 0.83 ALDH1A1 (0.49) KDM4ETSHRALDH1A1HSD17B10HPGD
SCHEMBL1804941 0.80 KDM4E (0.61) KDM4ETSHRALDH1A1HSD17B10HPGD
SCHEMBL29778068 0.80 KDM4E (0.61) KDM4ETSHRALDH1A1HSD17B10HPGD
SCHEMBL1559658 0.79 PARP1 (0.46) KDM4ETSHRALDH1A1HSD17B10HPGD
SCHEMBL6405069 0.76 P4HB (0.43) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL6389895 0.76 KDM4E (0.57) KDM4ETSHRALDH1A1HSD17B10HPGD
Phenol SCHEMBL10721550 0.76 KDM4E (0.57) KDM4ETSHRALDH1A1HSD17B10HPGD
SCHEMBL3077375 0.76 SIRT1 (0.77) KDM4ETSHRALDH1A1HSD17B10HPGD
SCHEMBL39964 0.75 KDM4E (0.52) KDM4ETSHRALDH1A1HSD17B10HPGD

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