SCHEMBL8067827

SCHEMBL8067827

COc1ccc(CC(=O)O)cc1-c1cccc(NO)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.51
▸ NR1H4 Q96RI1 2/20 0.49
▸ PDE4D Q08499 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ FABP4 P15090 1/20 0.47
▸ CA5A P35218 1/20 0.46
▸ FFAR1 O14842 1/20 0.46
▸ ENPP2 Q13822 1/20 0.44

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
SCHEMBL28454360 0.84 GAA (0.62) GAANR1H4ALDH1A1TSHRNFKB1
SCHEMBL8066867 0.83 PDE4B (0.46) PDE4DALDH1A1TSHRLMNAHTT
SCHEMBL15906176 0.83 GAA (0.55) GAANR1H4PDE4DALDH1A1TSHR
SCHEMBL8014205 0.83 PDE4B (0.46) PDE4DALDH1A1TSHRLMNAHTT
SCHEMBL8067030 0.83 PDE4D (0.49) PDE4DALDH1A1TSHRLMNAHTT
SCHEMBL8065449 0.82 PDE4D (0.63) GAAPDE4DALDH1A1TSHRNFKB1
SCHEMBL8028169 0.82 PDE4D (0.49) PDE4DFFAR1PDE4BCTSA
SCHEMBL21076208 0.79 GAA (0.72) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL8066904 0.79 PDE4D (0.54) GAAPDE4DKMT2ASMN1; SMN2MEN1
SCHEMBL8071940 0.79 PDE4D (0.51) PDE4DFFAR1PDE4B

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-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 — — WO disclosed
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