SCHEMBL9989100

SCHEMBL9989100

COC(=O)C(COCc1cccc(-c2ccccc2)c1)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.42
MDM4 O15151 1/20 0.42
MDM2 Q00987 1/20 0.42
PPARG P37231 1/20 0.41
MGLL Q99685 2/20 0.41
MMP1 P03956 2/20 0.40
MMP2 P08253 2/20 0.40
MMP12 P39900 2/20 0.40
FOLH1 Q04609 1/20 0.40
NR4A2 P43354 1/20 0.40
MMP9 P14780 1/20 0.40
AGXT P21549 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MME P08473 1/20 0.39
FFAR1 O14842 2/20 0.39
NAAA Q02083 1/20 0.39
AKR1B1 P15121 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
SCHEMBL9989103 1.00 PPARA (0.42) PPARAMDM4MDM2PPARGMGLL
SCHEMBL1774142 0.90 PPARA (0.50) PPARAMDM4MDM2PPARGFOLH1
SCHEMBL9989812 0.90 PPARA (0.50) PPARAMDM4MDM2PPARGFOLH1
SCHEMBL9989804 0.89 CHRM3 (0.48) MDM4MDM2MEN1KMT2AALDH1A1
SCHEMBL9989802 0.89 CHRM3 (0.48) MDM4MDM2MEN1KMT2AALDH1A1
SCHEMBL9989472 0.86 NLRP3 (0.43) PPARAMDM4MDM2PPARGMEN1
SCHEMBL9989473 0.86 NLRP3 (0.43) PPARAMDM4MDM2PPARGMEN1
SCHEMBL9989446 0.81 PPARA (0.46) PPARAMDM4MDM2PPARGFOLH1
SCHEMBL9989444 0.81 PPARA (0.46) PPARAMDM4MDM2PPARGFOLH1
SCHEMBL9990118 0.79 CHRM3 (0.42) PPARAMDM4MDM2PPARGFOLH1

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