SCHEMBL5163323

SCHEMBL5163323

CC(C)(C)OC(=O)NCC(C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.45
BECN1 Q14457 1/20 0.45
ADCY6 O43306 1/20 0.43
ADCY3 O60266 1/20 0.43
ADCY9 O60503 1/20 0.43
ADCY5 O95622 1/20 0.43
ADCY8 P40145 1/20 0.43
GCGR P47871 1/20 0.43
ADCY7 P51828 1/20 0.43
ADCY2 Q08462 1/20 0.43
ADCY1 Q08828 1/20 0.43
ADCY4 Q8NFM4 1/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
MAPT P10636 4/20 0.42
NPC1 O15118 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
MMP1 P03956 1/20 0.41

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
SCHEMBL8122648 0.85 ALDH1A1 (0.47) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6831591 0.84 NPC1 (0.45) MEN1KMT2AMAPTNPC1PPARG
SCHEMBL6832690 0.83 GAA (0.48) MEN1KMT2APPARGPPARAMMP2
SCHEMBL6827929 0.83 GAA (0.48) MEN1KMT2APPARGPPARAMMP2
SCHEMBL6830781 0.82 MEN1 (0.48) MEN1KMT2AMAPTNPC1PPARG
SCHEMBL8665299 0.82 CTSS (0.49) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL7367395 0.81 NPC1 (0.47) MEN1KMT2ANPC1PPARGPPARA
SCHEMBL5523207 0.81 CTSS (0.50) CTSSCTSK
SCHEMBL5163314 0.79 CTSS (0.60) BCL2PPARGPPARACTSSCTSK
SCHEMBL6409791 0.79 CTSS (0.60) BCL2PPARGPPARACTSSCTSK

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
EP-1753733-A1 SMALL MOLECULES FOR TREATMENT OF HYPERCHOLESTEROLEMIA AND RELATED DISEASES Avanir Pharmaceuticals (US) 2007-02-21 EP disclosed
WO-2005123700-A1 SMALL MOLECULES FOR TREATMENT OF HYPERCHOLESTEROLEMIA AND RELATED DISEASES AVANIR PHARMACEUTICALS (US) 2005-12-29 WO disclosed