SCHEMBL365768

SCHEMBL365768

CCOc1ccc(COc2cc(OC(=O)N(C)C)cc3c2c(C(=O)O)c2ccccn23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.38
CNR2 P34972 1/20 0.38
MAPT P10636 5/20 0.37
TP53 P04637 4/20 0.37
THRB P10828 1/20 0.37
LTB4R Q15722 4/20 0.37
LTB4R2 Q9NPC1 4/20 0.37
LMNA P02545 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MRGPRX4 Q96LA9 2/20 0.37
PKM P14618 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
APAF1 O14727 1/20 0.36
G6PD P11413 1/20 0.36

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
SCHEMBL365836 0.92 MAPT (0.38) ALOX5CNR2MAPTTP53THRB
SCHEMBL365592 0.91 MRGPRX4 (0.39) MAPTTP53LTB4RLTB4R2LMNA
SCHEMBL366850 0.91 MAPT (0.37) CNR2MAPTTP53THRBLTB4R
SCHEMBL365985 0.86 MEN1 (0.46) ALOX5CNR2MAPTTP53THRB
SCHEMBL365168 0.84 ACHE (0.41) LTB4RLTB4R2
SCHEMBL366373 0.83 MAPT (0.37) CNR2MAPTTP53THRBLTB4R
SCHEMBL366480 0.83 ACHE (0.39) MAPTTP53LTB4RLTB4R2LMNA
SCHEMBL365188 0.83 CYP11B1 (0.39) LTB4RLTB4R2LMNAPKMALDH1A1
SCHEMBL366750 0.83 PPARG (0.33) ALOX5CNR2MAPTALDH1A1MEN1
SCHEMBL367733 0.82 KMT2A (0.38) MAPTLMNAPKMALDH1A1MEN1

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