SCHEMBL6256063

SCHEMBL6256063

CC(C)COC(=O)c1cccc(Nc2ccc(-c3cccc(CN(C)C(=O)c4ccc5nccnc5c4)c3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
RECQL P46063 1/20 0.51
ADORA2A P29274 1/20 0.46
HTT P42858 1/20 0.45
HSD17B2 P37059 6/20 0.42
HSD17B1 P14061 4/20 0.42
SIRT2 Q8IXJ6 1/20 0.39
ABHD6 Q9BV23 2/20 0.38
PDK1 Q15118 2/20 0.37
HSP90AA1 P07900 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
AOC3 Q16853 4/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL6255806 0.87 POLB (0.56) POLBHPGDRECQLADORA2AHTT
SCHEMBL5354719 0.84 POLB (0.51) POLBHPGDRECQLADORA2AHTT
SCHEMBL5363528 0.77 POLB (0.54) POLBHPGDRECQLADORA2AHTT
SCHEMBL5366362 0.76 HSD17B2 (0.54) ADORA2AHSD17B2HSD17B1AOC3LMNA
SCHEMBL5362664 0.71 HSD17B2 (0.42) ADORA2AHSD17B2HSD17B1AOC3LMNA
SCHEMBL5359847 0.70 HSD17B2 (0.59) ADORA2AHSD17B2HSD17B1SIRT2PDK1
SCHEMBL5365662 0.70 HPGD (0.50) POLBHPGDRECQLHTTHSD17B2
SCHEMBL5359222 0.70 AOC3 (0.46) HPGDAOC3LMNATP53MAPT
SCHEMBL5358809 0.67 NR1H4 (0.45) ADORA2AHSD17B2HSD17B1SIRT2AOC3
SCHEMBL3945114 0.66 AOC3 (0.49) POLBHPGDRECQLHTTHSD17B2

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
EP-1572629-A1 COMPOUNDS WHICH MODULATE PPARϝ TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2005-09-14 EP disclosed
WO-2004052840-A1 COMPOUNDS WHICH MODULATE PPARϜ TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-06-24 WO disclosed