SCHEMBL22296371

SCHEMBL22296371

C=CCc1ccc(OCCCCCC)c(-c2ccc(O)c(CC=C)c2)c1

nearest known ligand 0.87

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 15/20 0.87
GABRB2 P47870 15/20 0.87
CNR2 P34972 5/20 0.78
CNR1 P21554 2/20 0.78
ALOX5 P09917 7/20 0.63
MEN1 O00255 1/20 0.63
POLB P06746 1/20 0.63
GAA P10253 1/20 0.63
MAPT P10636 1/20 0.63
GABRB1 P18505 1/20 0.63
RXRA P19793 1/20 0.63
GABRA5 P31644 1/20 0.63
GABRA3 P34903 1/20 0.63
GABRA2 P47869 1/20 0.63
KMT2A Q03164 1/20 0.63
ACE2 Q9BYF1 1/20 0.63
SIRT3 Q9NTG7 1/20 0.63

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
SCHEMBL20148307 1.00 GABRA1 (0.87) GABRA1GABRB2CNR2CNR1ALOX5
SCHEMBL22296368 1.00 GABRA1 (0.87) GABRA1GABRB2CNR2CNR1ALOX5
SCHEMBL20148313 1.00 GABRA1 (0.87) GABRA1GABRB2CNR2CNR1ALOX5
SCHEMBL20148306 1.00 GABRA1 (0.87) GABRA1GABRB2CNR2CNR1ALOX5
SCHEMBL20148319 0.99 GABRA1 (0.89) GABRA1GABRB2CNR2CNR1ALOX5
SCHEMBL22296367 0.97 GABRA1 (0.89) GABRA1GABRB2CNR2CNR1ALOX5
SCHEMBL20148322 0.93 GABRA1 (1.00) GABRA1GABRB2CNR2CNR1ALOX5
SCHEMBL20148310 0.91 CNR2 (0.93) GABRA1GABRB2CNR2CNR1ALOX5
SCHEMBL20148308 0.91 CNR2 (0.93) GABRA1GABRB2CNR2CNR1ALOX5
SCHEMBL20148305 0.91 CNR2 (0.93) GABRA1GABRB2CNR2CNR1ALOX5

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
EP-3307254-B1 MITO-HONOKIOL COMPOUNDS AND METHODS OF SYNTHESIS AND USE THEREOF MEDICAL COLLEGE WISCONSIN INC (US) 2020-08-05 EP disclosed