SCHEMBL8181548

SCHEMBL8181548

Bc1ccc2c(c1)c(CC(=O)O)c(C(=O)NC1CC1)n2Cc1ccc(C(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.40
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
TSHR P16473 2/20 0.39
CYP2C19 P33261 2/20 0.39
PMP22 Q01453 2/20 0.39
MEN1 O00255 1/20 0.39
RGS12 O14924 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
GNAI1 P63096 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39
PTGES2 Q9H7Z7 2/20 0.38
PTGES O14684 2/20 0.38

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
SCHEMBL13931387 0.89 PTGS2 (0.45) PPARGLMNACYP1A2CYP3A4CYP2C9
SCHEMBL13931388 0.85 PPARG (0.42) PPARGLMNACYP1A2CYP3A4CYP2C9
SCHEMBL8175338 0.85 PTGS2 (0.43) PPARGPTGESALOX5PTGS2KDM4E
SCHEMBL8167668 0.84 PLA2G1B (0.43) PPARGLMNACYP1A2CYP3A4CYP2C9
SCHEMBL8165177 0.84 PPARG (0.47) PPARGMEN1ALDH1A1KMT2APTGES
SCHEMBL8175786 0.81 KMT2A (0.41) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL8171613 0.81 PPARG (0.50) PPARGPTGES2PLA2G2ATHRATHRB
SCHEMBL8180895 0.79 PPARG (0.52) PPARGPTGES2F10PLA2G2A
SCHEMBL8181544 0.79 CYP1A2 (0.39) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL8174890 0.79 L3MBTL1 (0.46) LMNAMEN1ALDH1A1MAPTMAPK1

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