SCHEMBL7196858

SCHEMBL7196858

O=C(Cc1ccccc1CC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
MAPK1 P28482 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
KDM4E B2RXH2 2/20 0.61
MEN1 O00255 2/20 0.61
CYP3A4 P08684 2/20 0.61
HPGD P15428 2/20 0.61
KMT2A Q03164 2/20 0.61
ALOX15 P16050 1/20 0.61
CES1 P23141 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
ALDH1A1 P00352 4/20 0.56
GSK3B P49841 2/20 0.56
PTPN1 P18031 2/20 0.56
HIF1A Q16665 2/20 0.56
TRPA1 O75762 1/20 0.56
L3MBTL1 Q9Y468 3/20 0.54
LMNA P02545 1/20 0.54
NR4A2 P43354 1/20 0.54
ERCC5 P28715 1/20 0.52

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
SCHEMBL3918774 0.91 MAPT (0.52) MAPTMAPK1TDP1KDM4EMEN1
SCHEMBL27625902 0.89 MAPT (0.50) MAPTMAPK1TDP1KDM4EMEN1
SCHEMBL22000282 0.87 MAPT (0.52) MAPTMAPK1TDP1KDM4EMEN1
SCHEMBL948884 0.87 AKR1B1 (0.69) MAPTMAPK1TDP1KDM4EMEN1
SCHEMBL28455439 0.86 SMN1; SMN2 (0.47) MAPTMAPK1TDP1KDM4EMEN1
SCHEMBL338530 0.85 FOLH1 (0.53) MAPTMAPK1TDP1KDM4EMEN1
SCHEMBL159113 0.85 ALDH1A1 (0.56) MAPTMAPK1TDP1KDM4EMEN1
Hydrochloric Acid SCHEMBL28760122 0.85 AKR1B1 (0.67) MAPTMAPK1TDP1KDM4EMEN1
SCHEMBL593745 0.85 MAPT (0.50) MAPTMAPK1TDP1KDM4EMEN1
SCHEMBL70282 0.85 MAPK1 (0.54) MAPTMAPK1TDP1KDM4EMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003042148-A2 PROCESS FOR PRODUCING BISBENZIL COMPOUNDS SHOWA DENKO K. K. (JP) 2003-05-22 WO claimed
CN-110741053-A Coating composition 株式会社ADEKA 2020-01-31 CN disclosed
WO-2003042148-A2 PROCESS FOR PRODUCING BISBENZIL COMPOUNDS SHOWA DENKO K. K. (JP) 2003-05-22 WO disclosed