SCHEMBL27434149

SCHEMBL27434149

COc1ccc(C(=C[C]=O)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.58
CES1 P23141 2/20 0.58
PDE4A P27815 3/20 0.55
PDE4B Q07343 3/20 0.55
PDE4C Q08493 3/20 0.55
PDE4D Q08499 3/20 0.55
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MEN1 O00255 1/20 0.47
HSPD1 P10809 1/20 0.47
TNFRSF1A P19438 1/20 0.47
MAOB P27338 1/20 0.47
HSPE1 P61604 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1B1 Q16678 1/20 0.47
BCHE P06276 1/20 0.47

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
SCHEMBL1478038 0.83 ALDH1A1 (0.43) CES2CES1PDE4APDE4BPDE4C
SCHEMBL27684141 0.83 PDE4A (0.79) CES2CES1PDE4APDE4BPDE4C
SCHEMBL8023851 0.83 PDE4A (0.55) CES2CES1PDE4APDE4BPDE4C
SCHEMBL7056287 0.80 CES2 (0.62) CES2CES1PDE4APDE4BPDE4C
SCHEMBL27486603 0.78 CES2 (0.52) CES2MAPTALDH1A1CA1CA2
SCHEMBL4394758 0.77 CES2 (0.65) CES2CES1MAPTALDH1A1KDM4E
SCHEMBL4394754 0.77 CES2 (0.65) CES2CES1MAPTALDH1A1KDM4E
SCHEMBL9522139 0.77 CES2 (0.59) CES2CES1MAPTALDH1A1KDM4E
SCHEMBL4390225 0.77 CES2 (0.65) CES2CES1MAPTALDH1A1KDM4E
SCHEMBL9522136 0.77 CES2 (0.59) CES2CES1MAPTALDH1A1KDM4E

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
CN-1102161-C Photocurable composition THREE BOND CO LTD (JP) 2003-02-26 CN disclosed
CN-1153794-A Photocurable composition THREE BOND CO LTD (JP) 1997-07-09 CN disclosed