SCHEMBL366850

SCHEMBL366850

CCOc1ccc(CCOc2cc(OC(=O)N(C)C)cc3c2c(C(=O)O)c2ccccn23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
TP53 P04637 4/20 0.37
LMNA P02545 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CNR2 P34972 1/20 0.37
THRB P10828 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
APAF1 O14727 1/20 0.35
G6PD P11413 1/20 0.35
PABPC1 P11940 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
POLB P06746 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL365188 0.93 CYP11B1 (0.39) LMNAKMT2AALDH1A1LTB4RLTB4R2
SCHEMBL366373 0.92 MAPT (0.37) MAPTTP53LMNARXFP1CNR2
SCHEMBL365168 0.92 ACHE (0.41) LTB4RLTB4R2
SCHEMBL365768 0.91 ALOX5 (0.38) MAPTTP53LMNARXFP1CNR2
SCHEMBL366750 0.90 PPARG (0.33) MAPTCNR2MEN1KMT2AALDH1A1
SCHEMBL366899 0.90 PLA2G4A (0.36) MAPTTP53LMNARXFP1CNR2
SCHEMBL366815 0.86 MEN1 (0.45) MAPTTP53LMNARXFP1CNR2
SCHEMBL366611 0.86 ACHE (0.38) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL365592 0.84 MRGPRX4 (0.39) MAPTTP53LMNAMEN1KMT2A
SCHEMBL366564 0.84 ALDH1A1 (0.38) MAPTTP53LMNARXFP1THRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed