SCHEMBL13078080

SCHEMBL13078080

C=CCc1ccc(O)c(S)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.68
GABRA1 P14867 9/20 0.66
GABRB2 P47870 9/20 0.66
ALDH1A1 P00352 3/20 0.66
CNR2 P34972 3/20 0.66
MAPT P10636 3/20 0.66
MEN1 O00255 2/20 0.66
GAA P10253 2/20 0.66
CNR1 P21554 2/20 0.66
KMT2A Q03164 2/20 0.66
PPARG P37231 2/20 0.66
PPARD Q03181 2/20 0.66
KDM4E B2RXH2 1/20 0.66
ALDH2 P05091 1/20 0.66
AKR1B1 P15121 1/20 0.66
HPGD P15428 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
ALOX5 P09917 6/20 0.56
CYP3A4 P08684 2/20 0.56
AR P10275 1/20 0.56

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
Hydroxychavicol SCHEMBL43300 0.81 XDH (1.00) XDHGABRA1GABRB2ALDH1A1CNR2
Hydroxychavicol SCHEMBL15676540 0.81 XDH (1.00) XDHGABRA1GABRB2ALDH1A1CNR2
SCHEMBL5141122 0.79 XDH (0.50) XDHGABRA1GABRB2ALDH1A1CNR2
Magnolol SCHEMBL29538482 0.79 GABRA1 (1.00) XDHGABRA1GABRB2ALDH1A1CNR2
Magnolol SCHEMBL132477 0.79 GABRA1 (1.00) XDHGABRA1GABRB2ALDH1A1CNR2
Magnolol SCHEMBL29649179 0.79 GABRA1 (1.00) XDHGABRA1GABRB2ALDH1A1CNR2
SCHEMBL821126 0.78 GABRA1 (0.72) XDHGABRA1GABRB2ALDH1A1CNR2
SCHEMBL25287635 0.77 XDH (0.76) XDHGABRA1GABRB2ALDH1A1CNR2
SCHEMBL29414894 0.77 XDH (0.76) XDHGABRA1GABRB2ALDH1A1CNR2
SCHEMBL332664 0.76 XDH (0.68) XDHGABRA1GABRB2ALDH1A1CNR2

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
US-20100279215-A1 PHENOL POLYSULFIDE HOLE BLOCKING LAYER PHOTOCONDUCTORS XEROX CORPORATION (US) 2010-11-04 US disclosed