SCHEMBL4743014

SCHEMBL4743014

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

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.60
GABRA1 P14867 15/20 0.51
GABRB2 P47870 15/20 0.51
CNR2 P34972 5/20 0.51
CNR1 P21554 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRA3 P34903 2/20 0.45
GABRA2 P47869 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
GABRB1 P18505 1/20 0.45
RXRA P19793 1/20 0.45
KMT2A Q03164 1/20 0.45
ACE2 Q9BYF1 1/20 0.45
SIRT3 Q9NTG7 1/20 0.45

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 SCHEMBL4744175 0.99 ALOX5 (0.59) ALOX5GABRA1GABRB2CNR2CNR1
SCHEMBL4740883 0.87 GABRA1 (0.65) ALOX5GABRA1GABRB2CNR2CNR1
Hydrochloric Acid SCHEMBL4741020 0.86 GABRA1 (0.64) ALOX5GABRA1GABRB2CNR2CNR1
Hydrochloric Acid SCHEMBL4744802 0.85 ALOX5 (0.46) ALOX5GABRA1GABRB2CNR2CNR1
Hydrochloric Acid SCHEMBL4740880 0.80 ALOX5 (0.55) ALOX5GABRA1GABRB2CNR2CNR1
SCHEMBL4743012 0.80 GABRA1 (0.44) ALOX5GABRA1GABRB2CNR2CNR1
Hydrochloric Acid SCHEMBL4787213 0.80 ALOX5 (0.54) ALOX5GABRA1GABRB2CNR2CNR1
Hydrochloric Acid SCHEMBL4744172 0.79 GABRA1 (0.44) ALOX5GABRA1GABRB2CNR2CNR1
SCHEMBL14003745 0.79 ALOX5 (0.78) ALOX5GABRA1GABRB2CNR2CNR1
SCHEMBL34470194 0.78 ALOX5 (0.78) ALOX5GABRA1GABRB2CNR2CNR1

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