SCHEMBL5490734

SCHEMBL5490734

CC(C)(C)OC(=O)N(CCSCc1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.44
PPARG P37231 4/20 0.44
PPARA Q07869 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 1/20 0.43
F2 P00734 2/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
IDO1 P14902 1/20 0.40
PPARD Q03181 2/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 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
SCHEMBL1624311 0.79 SMN1; SMN2 (0.51) CYP2C19SMN1; SMN2MEN1CYP3A4CYP2C9
SCHEMBL27572033 0.79 TP53 (0.54) CYP2C19SMN1; SMN2MEN1CYP3A4CYP2C9
SCHEMBL5090319 0.77 MEN1 (0.50) CYP2C19SMN1; SMN2MEN1CYP3A4CYP2C9
SCHEMBL4312600 0.77 MEN1 (0.50) CYP2C19SMN1; SMN2MEN1CYP3A4CYP2C9
SCHEMBL9407535 0.77 MEN1 (0.50) CYP2C19SMN1; SMN2MEN1CYP3A4CYP2C9
SCHEMBL25736671 0.77 MEN1 (0.50) CYP2C19SMN1; SMN2MEN1CYP3A4CYP2C9
SCHEMBL8501723 0.77 L3MBTL1 (0.59) CYP2C19PPARGPPARASMN1; SMN2MEN1
SCHEMBL8466175 0.76 TP53 (0.51) CYP2C19SMN1; SMN2MEN1CYP3A4CYP2C9
SCHEMBL5805153 0.76 SMN1; SMN2 (0.49) CYP2C19SMN1; SMN2MEN1CYP3A4CYP2C9
SCHEMBL12750822 0.76 HSD11B1 (0.40) CYP2C19PPARGPPARASMN1; SMN2KMT2A

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-1763509-A1 ALPHA-HELICAL MIMETICS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2007-03-21 EP disclosed
WO-2006002474-A1 ALPHA-HELICAL MIMETICS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2006-01-12 WO disclosed