SCHEMBL8175100

SCHEMBL8175100

CC(C)c1ccc(Cn2c(C(=O)NC(C)(C)C)c(CC(=O)O)c3ccccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.48
THRB P10828 3/20 0.48
FOLH1 Q04609 3/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GFER P55789 1/20 0.45
PLA2G2A P14555 1/20 0.44
PTGES2 Q9H7Z7 4/20 0.42
PPARG P37231 1/20 0.42
PTPN1 P18031 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
PTGER4 P35408 1/20 0.41
YWHAH Q04917 1/20 0.41
CCR2 P41597 1/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL13931084 0.90 EGFR (0.43) THRATHRBMEN1KMT2AGFER
SCHEMBL8171635 0.87 MEN1 (0.53) THRATHRBFOLH1PTGDR2MEN1
SCHEMBL4266132 0.86 FOLH1 (0.63) THRATHRBFOLH1PTGDR2MEN1
SCHEMBL8167328 0.85 MEN1 (0.52) THRATHRBFOLH1PTGDR2MEN1
SCHEMBL8175838 0.85 PTGER4 (0.47) THRATHRBFOLH1PTGDR2MEN1
SCHEMBL8165192 0.84 MEN1 (0.53) THRATHRBFOLH1PTGDR2MEN1
SCHEMBL8175155 0.84 THRA (0.53) THRATHRBFOLH1PTGDR2MEN1
SCHEMBL13952371 0.84 PTGER4 (0.48) THRATHRBFOLH1PTGDR2MEN1
SCHEMBL8179717 0.83 PTGER4 (0.49) THRATHRBFOLH1PTGDR2MEN1
SCHEMBL8175849 0.82 PTGER4 (0.49) THRATHRBFOLH1PTGDR2PLA2G2A

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-2008100867-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-08-21 WO disclosed