SCHEMBL28397233

SCHEMBL28397233

COc1cc(OC)cc(C(=O)OCC(C)(C)c2ccccc2)c1.[SnH2]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
OPRM1 P35372 2/20 0.47
OPRD1 P41143 2/20 0.47
SLC6A3 Q01959 2/20 0.47
NR1I2 O75469 1/20 0.47
CHRM2 P08172 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADRA2B P18089 1/20 0.47
SLC6A4 P31645 1/20 0.47
OPRK1 P41145 1/20 0.47
CHRNA4 P43681 1/20 0.47
PDE4D Q08499 1/20 0.47
KCNH2 Q12809 1/20 0.47
TSHR P16473 2/20 0.45
ALDH1A1 P00352 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPK1 P28482 2/20 0.45
HIF1A Q16665 2/20 0.45
MEN1 O00255 5/20 0.43
MAPT P10636 2/20 0.43

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
SCHEMBL28396784 0.82 HRH3 (0.48) KMT2AOPRM1OPRD1SLC6A3NR1I2
SCHEMBL2612559 0.80 SERPINE1 (0.49) KMT2ATSHRALDH1A1NPSR1MEN1
SCHEMBL28399210 0.80 KMT2A (0.40) KMT2ATSHRALDH1A1NPSR1MEN1
SCHEMBL28428277 0.79 RAB9A (0.55) KMT2ASLC6A3ALDH1A1MAPK1HIF1A
SCHEMBL28382721 0.79 ADRB2 (0.50) SLC6A3TSHRALDH1A1NPSR1MAPK1
SCHEMBL28344625 0.79 ALOX5 (0.53) KMT2AALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL28402156 0.78 GRIN2D (0.54) KMT2ASLC6A3ALDH1A1NPSR1MAPK1
SCHEMBL2612528 0.78 MAPK1 (0.52) KMT2ATSHRALDH1A1NPSR1MAPK1
SCHEMBL2612550 0.77 SMN1; SMN2 (0.48) KMT2AOPRM1OPRD1SLC6A3NR1I2
SCHEMBL28209670 0.76 KMT2A (0.64) KMT2ASLC6A3TSHRALDH1A1NPSR1

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-111116639-A Preparation method and application of tris (2-methyl-2-phenylpropyl) tin 3, 5-dimethoxy benzoate complex 衡阳师范学院 2020-05-08 CN disclosed
CN-111116639-A Preparation method and application of tris (2-methyl-2-phenylpropyl) tin 3, 5-dimethoxy benzoate complex 衡阳师范学院 2020-05-08 CN disclosed