SCHEMBL29100417

SCHEMBL29100417

C=CCOc1ccc(-c2cc(CCC)ccc2O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.55
CNR2 P34972 5/20 0.54
CNR1 P21554 4/20 0.54
GABRA1 P14867 8/20 0.51
GABRB2 P47870 8/20 0.51
BACE1 P56817 2/20 0.45
GAA P10253 5/20 0.45
MGAM O43451 3/20 0.45
SI P14410 3/20 0.45
MGAM2 Q2M2H8 3/20 0.45
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
GABRB1 P18505 1/20 0.44
RXRA P19793 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
ACE2 Q9BYF1 1/20 0.44

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
SCHEMBL7725329 0.83 GAA (0.43) ALOX5CNR2CNR1GABRA1GABRB2
SCHEMBL15377205 0.83 MGAM (0.49) ALOX5CNR2GABRA1GABRB2GAA
SCHEMBL3627757 0.80 THRB (0.54) MEN1MAPTKMT2APOLBALDH1A1
SCHEMBL3163439 0.80 THRB (0.43) MEN1MAPTKMT2APOLBALDH1A1
SCHEMBL29100414 0.77 BCHE (0.42) AKR1B1
SCHEMBL3153759 0.77 MAOB (0.38) GAAMGAMSIMGAM2MEN1
SCHEMBL31558747 0.76 CNR2 (0.54) ALOX5CNR2GABRA1GABRB2GAA
SCHEMBL28313717 0.76 THRB (0.47) CNR2CNR1GAAMGAMSI
SCHEMBL3167954 0.76 MAOB (0.36) GAAMGAMSIMGAM2MEN1
SCHEMBL7785437 0.76 GABRA1 (0.76) ALOX5CNR2CNR1GABRA1GABRB2

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
CN-116813452-A Method for preparing dihydro-honokiol 济南明微医药科技有限公司 2023-09-29 CN disclosed