SCHEMBL366751

SCHEMBL366751

CCOc1ccc(CCOc2cc(OC(=O)N(C)C)cn3c2c(C(=O)O)c2ccccc23)cn1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
MAPT P10636 2/20 0.33
KLKB1 P03952 1/20 0.32
S1PR3 Q99500 1/20 0.32
CNR2 P34972 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
ALDH1A1 P00352 2/20 0.31
GRM4 Q14833 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LIPE Q05469 1/20 0.31
ALKBH1 Q13686 1/20 0.31

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
SCHEMBL366851 0.90 ALDH1A1 (0.38) MAPTS1PR3CNR2ALDH1A1KDM4E
SCHEMBL365189 0.88 ACHE (0.37) S1PR3CNR2ALDH1A1CYP11B1CYP11B2
SCHEMBL365114 0.87 ALDH1A1 (0.34) PPARGPPARAMAPTKLKB1CNR2
SCHEMBL365169 0.87 ACHE (0.41)
SCHEMBL366900 0.84 S1PR3 (0.39) S1PR3CNR2ITGB1ITGA4
SCHEMBL365769 0.83 LTB4R (0.39) MAPTS1PR3CNR2ITGB1ITGA4
SCHEMBL366374 0.83 ALDH1A1 (0.38) MAPTCNR2ALDH1A1
SCHEMBL366612 0.81 ACHE (0.38) S1PR3CYP11B1CYP11B2
SCHEMBL366750 0.81 PPARG (0.33) PPARGPPARAMAPTCNR2ALDH1A1
SCHEMBL365593 0.80 MRGPRX4 (0.39) ALKBH1

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