SCHEMBL5888980

SCHEMBL5888980

C=CCc1[c]cc(O)c(CC=C)c1CC=C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.34
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALDH2 P05091 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
AKR1B1 P15121 1/20 0.33
HPGD P15428 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PPARG P37231 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARD Q03181 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SRD5A1 P18405 1/20 0.33

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
SCHEMBL10715540 0.78 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL5888889 0.77 GABRA1 (0.39) GABRA1GABRB2KDM4EGAAAKR1B1
SCHEMBL299415 0.74 SRD5A1 (0.39) XDHGABRA1GABRB2KDM4EMEN1
SCHEMBL5888973 0.73 XDH (0.36) XDHGABRA1GABRB2KDM4EMEN1
SCHEMBL5888862 0.73 GABRA1 (0.39) GABRA1GABRB2KDM4EGAAAKR1B1
SCHEMBL5819571 0.71
SCHEMBL323547 0.71 XDH (0.54) XDHGABRA1GABRB2KDM4EMEN1
SCHEMBL5888864 0.71 XDH (0.50) XDHGABRA1GABRB2KDM4EMEN1
Hydrogen Sulfide SCHEMBL6721312 0.69 XDH (0.52) XDHGABRA1GABRB2KDM4EMEN1
SCHEMBL6013229 0.66 GABRA1 (0.52) XDHGABRA1GABRB2KDM4EMEN1

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