SCHEMBL4780133

SCHEMBL4780133

CCOC(=O)c1ccc2[nH]c3c(c2c1)CCCC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
NPC1 O15118 1/20 1.00
RAB9A P51151 1/20 1.00
KDM4E B2RXH2 9/20 0.72
MAPT P10636 8/20 0.72
SMN1; SMN2 Q16637 5/20 0.72
ALOX15 P16050 2/20 0.72
HSD17B10 Q99714 2/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
MAPK1 P28482 3/20 0.69
ALDH1A1 P00352 3/20 0.69
POLB P06746 2/20 0.69
LMNA P02545 6/20 0.67
TP53 P04637 2/20 0.67
THRB P10828 1/20 0.65
GAA P10253 2/20 0.64
HTT P42858 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
PLK4 O00444 1/20 0.61

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
SCHEMBL9148621 0.90 MEN1 (0.81) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL31615276 0.88 MEN1 (0.78) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL25808114 0.87 MEN1 (0.77) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL4024926 0.85 MEN1 (0.74) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL30523171 0.85 MEN1 (0.74) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL5239415 0.84 KDM4E (1.00) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL14258765 0.84 KMT2A (0.72) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL5583148 0.83 KDM4E (0.98) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL12868475 0.82 HSD17B10 (1.00) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL31615263 0.81 MAPT (1.00) MEN1KMT2ANPC1RAB9AMAPT

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-2008021745-A2 HEPATITIS C VIRUS ENTRY INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed