SCHEMBL7974650

SCHEMBL7974650

COC1=C(OC)C(=O)C2=C(CCC(CCOc3ccc(C)cc3)CC2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGAT2 Q10469 2/20 0.42
NFE2L2 Q16236 1/20 0.40
MAOB P27338 1/20 0.40
HPGD P15428 9/20 0.40
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRM2 Q14416 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
SCHEMBL7971449 0.92 MAOB (0.44) NFE2L2MAOBHPGDKDM4EL3MBTL1
SCHEMBL7974787 0.89 TEAD1 (0.45) NFE2L2MAOBHPGD
SCHEMBL7961502 0.88 MAOB (0.40) NFE2L2MAOBHPGDALDH1A1KMT2A
SCHEMBL7974962 0.88 MAOB (0.40) NFE2L2MAOBHPGDL3MBTL1
SCHEMBL7971414 0.87 PPARD (0.43) NFE2L2MAOBHPGDALDH1A1
SCHEMBL7974454 0.86 HRH3 (0.43) MGAT2NFE2L2MAOBHPGDALDH1A1
SCHEMBL7961113 0.86 HPGD (0.42) NFE2L2MAOBHPGDKMT2AGRM2
SCHEMBL7974477 0.85 PKM (0.47) KMT2AMEN1SMN1; SMN2
SCHEMBL7974398 0.84 MAOB (0.39) NFE2L2MAOBHPGD
SCHEMBL7974701 0.84 L3MBTL1 (0.47) KMT2AL3MBTL1

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-6326369-B1 ALZHEIMER'S DISEASE TAKEDA CHEMICALS INDUSTRIES, LTD. (JP) 2001-12-04 US disclosed