SCHEMBL8167668

SCHEMBL8167668

Bc1ccc2c(c1)c(CC(=O)O)c(C(=O)Nc1ccccc1)n2Cc1ccc(C(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.43
PLA2G2A P14555 1/20 0.43
PPARG P37231 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
FAAH O00519 1/20 0.42
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
MAPT P10636 2/20 0.42
GFER P55789 1/20 0.42
RGS12 O14924 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL13931396 0.89 PLA2G2A (0.48) PLA2G1BPLA2G2APPARGMEN1KMT2A
SCHEMBL8171635 0.88 MEN1 (0.53) PLA2G2AMEN1KMT2AFAAHMAPT
SCHEMBL8165177 0.88 PPARG (0.47) PLA2G1BPLA2G2APPARGMEN1KMT2A
SCHEMBL8171613 0.86 PPARG (0.50) PLA2G2APPARGTHRATHRB
SCHEMBL8181548 0.84 PPARG (0.40) PLA2G1BPLA2G2APPARGMEN1KMT2A
SCHEMBL8165192 0.84 MEN1 (0.53) MEN1KMT2APTGESALOX5MAPT
SCHEMBL8180895 0.84 PPARG (0.52) PLA2G2APPARGYWHAHFOLH1
SCHEMBL8165198 0.83 FOLH1 (0.48) MEN1KMT2AMAPTGFERALDH1A1
SCHEMBL8174763 0.80 KMT2A (0.43) PPARGKMT2AMAPTTSHRPTGDR2
SCHEMBL8175786 0.80 KMT2A (0.41) PLA2G1BPLA2G2AMEN1KMT2APTGES

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