SCHEMBL5888945

SCHEMBL5888945

C=CCc1ccc2c(O)[c]ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.47
GABRA1 P14867 7/20 0.46
GABRB2 P47870 7/20 0.46
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
GAA P10253 3/20 0.46
CNR2 P34972 3/20 0.46
KMT2A Q03164 3/20 0.46
CNR1 P21554 2/20 0.46
PPARG P37231 2/20 0.46
PPARD Q03181 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH2 P05091 1/20 0.46
AKR1B1 P15121 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALOX5 P09917 4/20 0.41
CYP3A4 P08684 3/20 0.41
PTGS1 P23219 2/20 0.41

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
SCHEMBL5888932 0.87 XDH (0.47) XDHGABRA1GABRB2ALDH1A1MAPT
SCHEMBL2886536 0.83 XDH (0.46) XDHGABRA1GABRB2ALDH1A1MAPT
SCHEMBL15255826 0.73 XDH (0.55) XDHGABRA1GABRB2ALDH1A1MAPT
SCHEMBL5888875 0.72 XDH (0.52) XDHGABRA1GABRB2ALDH1A1MAPT
SCHEMBL28864347 0.71 GABRA1 (0.46) XDHGABRA1GABRB2ALDH1A1MAPT
SCHEMBL8084648 0.71 XDH (0.56) XDHGABRA1GABRB2ALDH1A1MAPT
SCHEMBL3259762 0.70 XDH (0.58) XDHGABRA1GABRB2ALDH1A1MAPT
SCHEMBL16487290 0.69 ALDH1A1 (0.48) XDHGABRA1GABRB2ALDH1A1MAPT
SCHEMBL30083985 0.69 ALDH1A1 (0.48) XDHGABRA1GABRB2ALDH1A1MAPT
SCHEMBL29946571 0.69 ERN1 (0.59) XDHGABRA1GABRB2ALDH1A1MAPT

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-7041388-B1 Substituted poly(arylene vinylenes), process for their preparation and their use in electroluminescent devices SEMICONDUCTORS GMBH (DE) 2006-05-09 US claimed