SCHEMBL4057641

SCHEMBL4057641

CCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)c(C)oc2cc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.66
ALDH1A1 P00352 8/20 0.66
NPSR1 Q6W5P4 6/20 0.66
MAPK1 P28482 5/20 0.66
HSD17B10 Q99714 5/20 0.66
LMNA P02545 4/20 0.66
HTT P42858 5/20 0.61
SMN1; SMN2 Q16637 3/20 0.56
THRB P10828 1/20 0.53
GABRA1 P14867 1/20 0.52
GABRB2 P47870 1/20 0.52
KDM4E B2RXH2 7/20 0.52
ALOX12 P18054 3/20 0.52
RAB9A P51151 3/20 0.52
ALOX15 P16050 2/20 0.52
NPC1 O15118 2/20 0.52
POLB P06746 1/20 0.52
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
HPGD P15428 3/20 0.49

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
SCHEMBL5267169 0.94 ALDH1A1 (0.73) MAPTALDH1A1NPSR1MAPK1HSD17B10
SCHEMBL13904566 0.92 ALDH1A1 (0.63) MAPTALDH1A1NPSR1MAPK1HSD17B10
SCHEMBL13904573 0.86 MAPT (0.71) MAPTALDH1A1NPSR1MAPK1HSD17B10
SCHEMBL13904723 0.85 ALDH1A1 (0.59) MAPTALDH1A1NPSR1MAPK1HSD17B10
SCHEMBL13904793 0.84 ALDH1A1 (0.54) MAPTALDH1A1NPSR1MAPK1HSD17B10
SCHEMBL13904700 0.84 ALDH1A1 (0.67) MAPTALDH1A1NPSR1MAPK1HSD17B10
SCHEMBL12722313 0.83 ALDH1A1 (0.67) MAPTALDH1A1NPSR1MAPK1HSD17B10
SCHEMBL13904577 0.82 ALDH1A1 (0.63) MAPTALDH1A1NPSR1MAPK1HSD17B10
SCHEMBL13904726 0.81 ALDH1A1 (0.74) MAPTALDH1A1NPSR1MAPK1HSD17B10
SCHEMBL4057808 0.80 ALDH1A1 (0.61) MAPTALDH1A1NPSR1MAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009026658-A1 PPAR AGONISTS THE UNIVERSITY OF SYDNEY (AU) 2009-03-05 WO disclosed
WO-2009026657-A1 FLAVONOID PPAR AGONISTS THE UNIVERSITY OF SYDNEY (AU) 2009-03-05 WO disclosed
WO-2009026657-A1 FLAVONOID PPAR AGONISTS THE UNIVERSITY OF SYDNEY (AU) 2009-03-05 WO disclosed