SCHEMBL28416632

SCHEMBL28416632

C=CCc1c(O)cc(CCc2cc(O)c(CC=C)c(O)c2)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.52
CNR1 P21554 3/20 0.45
CNR2 P34972 3/20 0.45
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
GABRA1 P14867 2/20 0.45
GABRB2 P47870 2/20 0.45
ALDH1A1 P00352 2/20 0.45
PPARG P37231 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH2 P05091 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
AKR1B1 P15121 1/20 0.45
KMT2A Q03164 1/20 0.45
PPARD Q03181 1/20 0.45
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL17969003 0.88 XDH (0.59) XDHCNR1CNR2HPGDNPSR1
SCHEMBL9742119 0.81 XDH (0.45) XDHCNR1CNR2HPGDNPSR1
SCHEMBL9028025 0.78 HTT (0.49) XDHCNR1CNR2HPGDNPSR1
SCHEMBL29115719 0.77 PTPN1 (0.47) XDHCNR1CNR2HPGDNPSR1
SCHEMBL4961750 0.77 XDH (0.52) XDHCNR1CNR2HPGDNPSR1
SCHEMBL22139408 0.76 XDH (0.45) XDHCNR1CNR2HPGDNPSR1
SCHEMBL11660801 0.73 GABRA1 (0.45) XDHCNR1CNR2HPGDNPSR1
SCHEMBL3600818 0.72 GAA (0.42) XDHCNR1CNR2HPGDNPSR1
SCHEMBL20840187 0.72 GABRA1 (0.66) XDHCNR1CNR2HPGDNPSR1
SCHEMBL69556 0.71 GABRA1 (0.48) XDHCNR1CNR2HPGDNPSR1

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-111296550-A Preservation method of air-dried smelly mandarin fish 绩溪徽顺酒店管理有限公司 2020-06-19 CN disclosed