SCHEMBL4740883

SCHEMBL4740883

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

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 14/20 0.65
GABRB2 P47870 14/20 0.65
ALOX5 P09917 7/20 0.63
CNR2 P34972 5/20 0.63
CNR1 P21554 2/20 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
AKR1B1 P15121 1/20 0.46

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
Hydrochloric Acid SCHEMBL4741020 0.99 GABRA1 (0.64) GABRA1GABRB2ALOX5CNR2CNR1
SCHEMBL4743014 0.87 ALOX5 (0.60) GABRA1GABRB2ALOX5CNR2CNR1
SCHEMBL34470386 0.87 GABRA1 (0.65) GABRA1GABRB2ALOX5CNR2CNR1
SCHEMBL31099274 0.87 GABRA1 (0.62) GABRA1GABRB2ALOX5CNR2CNR1
SCHEMBL34470557 0.87 GABRA1 (0.69) GABRA1GABRB2ALOX5CNR2CNR1
SCHEMBL19235781 0.86 ALOX5 (0.84) GABRA1GABRB2ALOX5CNR2CNR1
Hydrochloric Acid SCHEMBL4744175 0.86 ALOX5 (0.59) GABRA1GABRB2ALOX5CNR2CNR1
SCHEMBL4744358 0.86 GABRA1 (0.63) GABRA1GABRB2ALOX5CNR2CNR1
Hydrochloric Acid SCHEMBL4742209 0.84 GABRA1 (0.61) GABRA1GABRB2ALOX5CNR2CNR1
SCHEMBL25336399 0.83 GABRA1 (0.64) GABRA1GABRB2ALOX5CNR2CNR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008099994-A1 BIPHENYL DIOL DERIVATIVES AND COMPOSITIONS COMPRISING THE SAME AS AN ACTIVE INGREDIENT BIOSPECTRUM INC. (KR) 2008-08-21 WO claimed
WO-2008099994-A1 BIPHENYL DIOL DERIVATIVES AND COMPOSITIONS COMPRISING THE SAME AS AN ACTIVE INGREDIENT BIOSPECTRUM INC. (KR) 2008-08-21 WO disclosed