SCHEMBL8517477

SCHEMBL8517477

CCCCc1ccc(C(=O)Nc2cccc3c2CCCC3N)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
TAS1R2 Q8TE23 2/20 0.41
PLK1 P53350 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 2/20 0.38
ALOX15 P16050 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 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
SCHEMBL8516703 0.94 PPARG (0.45) PPARGPPARASMN1; SMN2MEN1KMT2A
SCHEMBL8517156 0.82 NR1H4 (0.45) PPARGPPARASMN1; SMN2MEN1KMT2A
SCHEMBL8370671 0.76 NR1H4 (0.46) PPARGPPARASMN1; SMN2MEN1KMT2A
SCHEMBL24619874 0.75 MEN1 (0.46) SMN1; SMN2MEN1KMT2ATAS1R3TAS1R1
Hydrochloric Acid SCHEMBL28676357 0.74 MEN1 (0.45) SMN1; SMN2MEN1KMT2ATAS1R3TAS1R1
Hydrochloric Acid SCHEMBL28676356 0.74 MEN1 (0.45) SMN1; SMN2MEN1KMT2ATAS1R3TAS1R1
SCHEMBL8516665 0.70 HCRTR1 (0.46) PPARGPPARASMN1; SMN2MEN1KMT2A
SCHEMBL8436242 0.70 PPARG (0.43) PPARGPPARASMN1; SMN2MEN1KMT2A
SCHEMBL16088691 0.70 KMT2A (0.61) PPARGPPARASMN1; SMN2MEN1KMT2A
SCHEMBL8367446 0.69 KCNA5 (0.48) PPARGPPARAMEN1KMT2ARAB9A

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