SCHEMBL4780955

SCHEMBL4780955

CCOC(=O)c1cc(C(Cl)CC)c2[nH]c3c(c2c1)CCCC3

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
MAPT P10636 9/20 0.48
LMNA P02545 7/20 0.48
TP53 P04637 3/20 0.48
THRB P10828 2/20 0.46
KDM4E B2RXH2 8/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 4/20 0.43
POLB P06746 2/20 0.43
MAPK1 P28482 2/20 0.43
GAA P10253 2/20 0.41
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL4780967 0.77 MEN1 (0.56) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4780133 0.76 MEN1 (1.00) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL9148621 0.73 MEN1 (0.81) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4729279 0.70 MAPT (0.57) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4726736 0.69 MAPT (0.46) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6755465 0.68 KMT2A (0.62) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL31615276 0.68 MEN1 (0.78) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL9836422 0.67 MEN1 (0.63) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7823939 0.66 LMNA (0.57) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7956193 0.65 LMNA (0.56) 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