SCHEMBL28560992

SCHEMBL28560992

COc1cccc2c1OC(O)(c1ccccc1)C(=O)C2O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 1/20 0.40
SIRT1 Q96EB6 1/20 0.37
POLL Q9UGP5 1/20 0.36
POLB P06746 2/20 0.36
TERT O14746 1/20 0.36
HSD11B1 P28845 1/20 0.35
NR3C1 P04150 1/20 0.34
PKM P14618 1/20 0.34
EDNRA P25101 2/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
EDNRB P24530 1/20 0.34
HTR1A P08908 1/20 0.34
EIF4A1 P60842 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL7755347 0.76 MAPT (0.52) ALDH1A1MAPK1EDNRAATMNPSR1
SCHEMBL3289420 0.75 MAOA (0.43) MAPK1EDNRAATMNPSR1EDNRB
SCHEMBL28562134 0.72 EDNRB (0.42) ALDH1A1POLBEDNRANPC1GAA
SCHEMBL28556131 0.69 CA1 (0.40) ALDH1A1HPGDSIRT1NR3C1EDNRA
SCHEMBL28921922 0.66 CA1 (0.44) ALDH1A1HPGDMAPK1SIRT1NPC1
SCHEMBL5723045 0.64 ALDH1A1 (0.43) ALDH1A1HPGDPOLL
SCHEMBL5723074 0.63 ALDH1A1 (0.43) ALDH1A1HPGDPOLLNPSR1
SCHEMBL18535803 0.63 HTR2C (0.45) ALDH1A1HPGDMAPK1POLLGAA
SCHEMBL11111518 0.62 PDK2 (0.43) ALDH1A1HPGDMAPK1SIRT1NR3C1
SCHEMBL11109912 0.61 PDK2 (0.51) ALDH1A1HPGDNR3C1NPSR1CA1

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-107753542-B South American wedelia chinensis antioxidant extract and preparation method and application thereof 海南师范大学 2021-05-07 CN claimed
CN-107753542-B South American wedelia chinensis antioxidant extract and preparation method and application thereof 海南师范大学 2021-05-07 CN disclosed