SCHEMBL13024416

SCHEMBL13024416

CC(C)(O)c1ccc2ccc(C(C)(C)O)c(-c3ccccc3)c2c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 2/20 0.36
▸ PDE4B Q07343 2/20 0.36
▸ PDE4C Q08493 2/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ CYP2C9 P11712 2/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ LMNA P02545 3/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ GCGR P47871 1/20 0.32
▸ SMN1; SMN2 Q16637 3/20 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
SCHEMBL14063310 0.81 HSD17B10 (0.45) CYP2C9HPGDHSD17B10CYP1A2CYP2D6
SCHEMBL2132427 0.79 CYP2C9 (0.42) CYP2C9HPGDHSD17B10CYP1A2CYP2D6
SCHEMBL25125270 0.75 CYP1A2 (0.45) CYP1A2LMNAMAPTHTTALDH1A1
SCHEMBL15870859 0.72 HPGD (0.37) CYP2C9HPGDHSD17B10CYP1A2CYP2D6
SCHEMBL548427 0.71 CYP2C9 (0.38) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL15870870 0.69 MEN1 (0.43) CYP2C9PGRHPGDHSD17B10CYP1A2
SCHEMBL13585336 0.69 FABP4 (0.49) HPGDLMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL13792036 0.69 ACE2 (0.38) HPGDHSD17B10CYP1A2MAPTALDH1A1
SCHEMBL28163776 0.68 PGR (0.49) CYP2C9PGRHPGDHSD17B10LMNA
SCHEMBL11904158 0.68 CDK8 (0.36) PDE4APDE4BPDE4CPDE4DCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010151006-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME DOW ADVANCED DISPLAY MATERIALS, LTD. (KR) 2010-12-29 — — WO disclosed
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