SCHEMBL5325075

SCHEMBL5325075

COc1cc([AsH]C(C)C)cc(OC)c1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ BCHE P06276 3/20 0.44
▸ HTR1A P08908 2/20 0.44
▸ ADRA1D P25100 2/20 0.44
▸ ADRA1A P35348 2/20 0.44
▸ ADRA1B P35368 2/20 0.44
▸ PDGFRB P09619 1/20 0.44
▸ PDGFRA P16234 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ GAA P10253 2/20 0.43
▸ MGAM O43451 1/20 0.43
▸ SI P14410 1/20 0.43
▸ MGAM2 Q2M2H8 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ KDM4E B2RXH2 1/20 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
SCHEMBL12431888 0.78 HTR1A (0.50) KMT2AMEN1TDP1BCHEHTR1A
SCHEMBL10925538 0.78 HTR1A (0.50) KMT2AMEN1TDP1BCHEHTR1A
SCHEMBL27998563 0.78 MAOB (0.59) KMT2AMEN1BCHEHTR1AADRA1D
SCHEMBL5306047 0.77 G6PD (0.57) KMT2AMEN1TDP1BCHEHTR1A
SCHEMBL5308499 0.77 TAAR1 (0.51) KMT2AMEN1TDP1
SCHEMBL19738039 0.77 KMT2A (0.50) KMT2AMEN1TDP1BCHEHTR1A
SCHEMBL5308504 0.77 TAAR1 (0.51) KMT2AMEN1TDP1
SCHEMBL5234365 0.76 HTR1A (0.49) KMT2AMEN1TDP1BCHEHTR1A
SCHEMBL5237170 0.76 APP (0.56) KMT2AMEN1TDP1BCHEHTR1A
SCHEMBL8862695 0.76 HTR1A (0.49) KMT2AMEN1TDP1BCHEHTR1A

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-2007016190-A2 ANTIPARKINSONIAN ACTION OF PHENYLISOPROPYLAMINES DUKE UNIVERSITY (US) 2007-02-08 — — WO disclosed
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