SCHEMBL28927239

SCHEMBL28927239

COCc1ccc(C(=O)OC)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
HTT P42858 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
GAA P10253 3/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK4 Q16654 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL23292500 0.87 HPGD (0.54) KDM4EHTTSMN1; SMN2MAPTGAA
SCHEMBL5503225 0.86 PPARG (0.51) KDM4EHTTSMN1; SMN2MAPTNPC1
SCHEMBL8134302 0.86 HTT (0.54) KDM4EHTTSMN1; SMN2MAPTNPC1
SCHEMBL4241664 0.85 CA12 (0.51) KDM4EHTTSMN1; SMN2MAPTNPC1
SCHEMBL5195645 0.84 PLK1 (0.49) HTTSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL4307061 0.83 KDM4E (0.51) KDM4EHTTSMN1; SMN2MAPTNPC1
SCHEMBL1612288 0.83 LOXL2 (0.54) KDM4EHTTSMN1; SMN2MAPTNPC1
SCHEMBL2772618 0.83 HTT (0.48) KDM4EHTTSMN1; SMN2MAPTNPC1
SCHEMBL12505392 0.83 PARP15 (0.54) KDM4EHTTSMN1; SMN2MAPTNPC1
SCHEMBL16992587 0.83 KDM4E (0.46) KDM4EHTTSMN1; SMN2MAPTNPC1

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
CN-113493449-A NO donor coumarin furazan conjugate and pharmaceutical application thereof 复旦大学 2021-10-12 CN disclosed