SCHEMBL28027161

SCHEMBL28027161

COc1ccc(OC)c(C(C)C(=O)C(C)c2cc(OC)ccc2OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.58
CYP2D6 P10635 2/20 0.58
ADRA2A P08913 2/20 0.58
MEN1 O00255 1/20 0.57
MAPK1 P28482 1/20 0.57
BLM P54132 1/20 0.57
KMT2A Q03164 1/20 0.57
HTT P42858 2/20 0.55
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
ADRB3 P13945 1/20 0.53
ACHE P22303 1/20 0.53
SCN1A P35498 1/20 0.51
SCN2A Q99250 1/20 0.51
SCN3A Q9NY46 1/20 0.51
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL491187 0.88 PTGS2 (0.61) ADRA1ACYP2D6ADRA2AMEN1MAPK1
SCHEMBL31512445 0.88 PTGS2 (0.61) ADRA1ACYP2D6ADRA2AMEN1MAPK1
SCHEMBL4981399 0.86 CYP2D6 (0.58) ADRA1ACYP2D6ADRA2AMEN1MAPK1
SCHEMBL28329243 0.86 CA12 (0.48) ADRA1ACYP2D6ADRA2AMEN1KMT2A
SCHEMBL8638138 0.83 CYP2D6 (0.53) ADRA1ACYP2D6ADRA2AMEN1MAPK1
SCHEMBL490457 0.82 ADRA1A (0.53) ADRA1ACYP2D6ADRA2AMEN1MAPK1
SCHEMBL9027230 0.79 ADRA1A (0.69) ADRA1ACYP2D6ADRA2AMEN1MAPK1
SCHEMBL9027223 0.79 CYP2D6 (0.62) ADRA1ACYP2D6ADRA2AMEN1MAPK1
SCHEMBL487152 0.79 CYP2D6 (0.67) ADRA1ACYP2D6ADRA2AMEN1MAPK1
SCHEMBL28162836 0.79 NPC1 (0.53) ADRA1ACYP2D6MEN1MAPK1KMT2A

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
CN-104936453-B The soil additive of fermentation 液体化肥系统有限公司 2018-03-30 CN disclosed
CN-104936453-A Fermented soil additive LIQUID FERTILISER SYSTEMS PTY LTD 2015-09-23 CN disclosed