SCHEMBL8516703

SCHEMBL8516703

CCCCc1ccc(C(=O)Nc2cccc3c2CCC3N)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
ACHE P22303 2/20 0.42
PLK1 P53350 1/20 0.42
ALDH1A1 P00352 2/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL8517477 0.94 PPARG (0.43) PPARGPPARAPLK1ALDH1A1IRAK4
SCHEMBL8370671 0.82 NR1H4 (0.46) PPARGPPARAACHEALDH1A1MEN1
SCHEMBL8517156 0.76 NR1H4 (0.45) PPARGPPARAALDH1A1MEN1KMT2A
SCHEMBL8436242 0.72 PPARG (0.43) PPARGPPARAPLK1MEN1KMT2A
SCHEMBL16088691 0.71 KMT2A (0.61) PPARGPPARAPLK1ALDH1A1MEN1
SCHEMBL8367446 0.70 KCNA5 (0.48) PPARGPPARAACHEMEN1KMT2A
SCHEMBL7801348 0.69 PPARG (0.68) PPARGPPARACYP1A2CYP3A4CYP2C9
SCHEMBL7799996 0.68 PPARA (0.89) PPARGPPARAALDH1A1CYP1A2CYP3A4
SCHEMBL8516665 0.68 HCRTR1 (0.46) PPARGPPARAMEN1KMT2ANPC1
SCHEMBL24619874 0.68 MEN1 (0.46) ACHEALDH1A1MEN1KMT2ANPC1

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-1999052857-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1999-10-21 WO disclosed