SCHEMBL8020239

SCHEMBL8020239

C=C1OB(c2cccc(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STS P08842 3/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
GNRHR P30968 1/20 0.39
GPR119 Q8TDV5 3/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
TGFBR1 P36897 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
YAP1 P46937 2/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
KDM1A O60341 1/20 0.38

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
SCHEMBL1363539 0.87 USP30 (0.48) STSKDM4EPKMGNRHRGPR119
SCHEMBL9947231 0.78 NAMPT (0.47) STSKDM4EGPR119MAPTTHRB
SCHEMBL8026194 0.78 GRM5 (0.38) STSGPR119
SCHEMBL1363304 0.76 KDM4E (0.51) STSKDM4EPKMGPR119LMNA
SCHEMBL12720747 0.75 DDB1 (0.47) GPR119
SCHEMBL18617673 0.75 KDM4E (0.52) STSKDM4EPKMGPR119LMNA
SCHEMBL3375291 0.75 USP30 (0.53) KDM4EPKMGNRHRGPR119LMNA
SCHEMBL3161476 0.74 SMN1; SMN2 (0.58) STSKDM4EPKMGPR119LMNA
SCHEMBL16113771 0.74 GPR119 (0.61) STSKDM4EPKMGPR119LMNA
SCHEMBL14852116 0.74 GPR119 (0.51) STSKDM4EPKMGPR119LMNA

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-2009100168-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
WO-2009100166-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed