SCHEMBL7600520

SCHEMBL7600520

COc1cc(C)c(C(=O)c2c(OC)ccc(Br)c2C)c(OCc2ccccc2C)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 5/20 0.39
RAB9A P51151 2/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TTR P02766 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX12 P18054 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL7603075 0.91 MAPT (0.46) MAPTTHRBKMT2AMEN1NPSR1
SCHEMBL6738712 0.85 MAPT (0.46) MAPTTHRBKMT2AMEN1NPSR1
Metrafenone SCHEMBL29408434 0.84 ALDH1A1 (0.42) MAPTKMT2AMEN1NPSR1ALDH1A1
Metrafenone SCHEMBL30013482 0.84 ALDH1A1 (0.42) MAPTKMT2AMEN1NPSR1ALDH1A1
Metrafenone SCHEMBL20788 0.84 ALDH1A1 (0.42) MAPTKMT2AMEN1NPSR1ALDH1A1
SCHEMBL7602501 0.84 THRA (0.46) MAPTTHRATHRBKMT2AMEN1
SCHEMBL7601914 0.82 MAPT (0.49) MAPTKMT2AMEN1NPSR1ALDH1A1
SCHEMBL7044465 0.82 PDE4A (0.47) MAPTTHRATHRBKMT2AMEN1
Metrafenone SCHEMBL1613717 0.81 HPGD (0.52) MAPTALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL7599649 0.80 APP (0.41) MAPTTHRBKMT2AMEN1ALDH1A1

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
US-20020155518-A1 Method of detecting compounds that control fungal diseases via effects on sporulation BASF AKTIENGESELLSCHAFT (DE) 2002-10-24 US disclosed