SCHEMBL9989444

SCHEMBL9989444

COC(=O)C(COCc1ccc(C(C)C)cc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.46
PPARG P37231 1/20 0.46
MME P08473 1/20 0.43
MDM4 O15151 1/20 0.42
MDM2 Q00987 1/20 0.42
MMP9 P14780 1/20 0.42
MMP14 P50281 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
FOLH1 Q04609 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
CTSS P25774 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR2 P34972 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
SCHEMBL9989446 1.00 PPARA (0.46) PPARAPPARGMMEMDM4MDM2
SCHEMBL9989812 0.90 PPARA (0.50) PPARAPPARGMMEMDM4MDM2
SCHEMBL1774142 0.90 PPARA (0.50) PPARAPPARGMMEMDM4MDM2
SCHEMBL9989103 0.81 PPARA (0.42) PPARAPPARGMMEMDM4MDM2
SCHEMBL9989100 0.81 PPARA (0.42) PPARAPPARGMMEMDM4MDM2
SCHEMBL9989802 0.80 CHRM3 (0.48) MDM4MDM2MEN1KMT2ANPC1
SCHEMBL9989804 0.80 CHRM3 (0.48) MDM4MDM2MEN1KMT2ANPC1
SCHEMBL9990118 0.79 CHRM3 (0.42) PPARAPPARGMDM4MDM2MEN1
SCHEMBL9990116 0.79 CHRM3 (0.42) PPARAPPARGMDM4MDM2MEN1
SCHEMBL9989472 0.77 NLRP3 (0.43) PPARAPPARGMDM4MDM2MEN1

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-2011159781-A2 BITTER TASTE MODULATORS SENOMYX, INC. (US) 2011-12-22 WO disclosed