SCHEMBL7913069

SCHEMBL7913069

COC(=O)OCc1cc(-c2cccc(Cl)c2)c2nccn2c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.44
EPHB4 P54760 7/20 0.41
JAK2 O60674 4/20 0.39
GPR119 Q8TDV5 1/20 0.39
RET P07949 1/20 0.39
PDE4D Q08499 1/20 0.38
NAMPT P43490 1/20 0.38
CHRM3 P20309 2/20 0.38
EGFR P00533 1/20 0.37
CYP3A4 P08684 1/20 0.37
FFAR1 O14842 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
SCHEMBL3377149 0.89 HDAC6 (0.43) HDAC6EPHB4JAK2GPR119RET
SCHEMBL3379763 0.84 TRPM8 (0.39) GPR119PDE4DCHRM3EGFR
SCHEMBL3381843 0.81 GPR119 (0.39) JAK2GPR119PDE4DCHRM3EGFR
SCHEMBL3380305 0.80 HDAC6 (0.44) HDAC6EPHB4JAK2RETNAMPT
SCHEMBL3379666 0.80 MAPK14 (0.48) HDAC6EPHB4JAK2CYP3A4
SCHEMBL3378468 0.79 PDE4D (0.38) GPR119PDE4DCHRM3EGFR
SCHEMBL10442054 0.74 PDE4D (0.47) PDE4DEGFR
SCHEMBL3466382 0.74 PDE4D (0.62) PDE4DFFAR1
SCHEMBL3377436 0.73 HDAC6 (0.39) HDAC6EPHB4RETPDE4DNAMPT
SCHEMBL3375932 0.73 CHRM3 (0.35) PDE4DCHRM3EGFR

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-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
WO-2010059836-A1 SUBSTITUTED AZA-BRIDGED BICYCLICS FOR CARDIOVASCULAR AND CNS DISEASE DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed