SCHEMBL7199268

SCHEMBL7199268

O=C(Cc1ccc(CC(=O)c2ccccc2)cc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.67
L3MBTL1 Q9Y468 3/20 0.67
PLAU P00749 1/20 0.65
SRD5A2 P31213 2/20 0.64
MAPK1 P28482 2/20 0.61
CES1 P23141 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.61
CYP3A4 P08684 1/20 0.61
HPGD P15428 1/20 0.61
ALOX15 P16050 1/20 0.61
KMT2A Q03164 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
GSK3B P49841 2/20 0.56
TRPA1 O75762 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HIF1A Q16665 1/20 0.56
PTPN1 P18031 1/20 0.56
SMO Q99835 1/20 0.56

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
SCHEMBL24800 0.95 MAPT (0.73) MAPTL3MBTL1PLAUSRD5A2MAPK1
SCHEMBL4282905 0.93 MAPT (0.70) MAPTL3MBTL1PLAUSRD5A2MAPK1
Water SCHEMBL20527670 0.93 MAPT (0.70) MAPTL3MBTL1PLAUSRD5A2MAPK1
Water SCHEMBL9243001 0.93 MAPT (0.70) MAPTL3MBTL1PLAUSRD5A2MAPK1
Hydrochloric Acid SCHEMBL27315608 0.93 MAPT (0.70) MAPTL3MBTL1PLAUSRD5A2MAPK1
Bicarbonate SCHEMBL28984888 0.93 MAPT (0.70) MAPTL3MBTL1PLAUSRD5A2MAPK1
SCHEMBL13381371 0.91 SRD5A2 (0.79) MAPTL3MBTL1PLAUSRD5A2MAPK1
SCHEMBL22666810 0.91 MAPT (0.63) MAPTL3MBTL1PLAUSRD5A2MAPK1
SCHEMBL29163965 0.91 SRD5A2 (0.79) MAPTL3MBTL1PLAUSRD5A2MAPK1
SCHEMBL1515725 0.91 SRD5A2 (0.72) MAPTL3MBTL1PLAUSRD5A2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4082806-A PREPARATION OF TETRAKETONES WRIGHT STATE UNIVERSITY (US) 1978-04-04 US claimed
US-4000187-A THERMAL STABILITY, COATINGS, CAST FILMS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1976-12-28 US claimed
WO-2003042148-A2 PROCESS FOR PRODUCING BISBENZIL COMPOUNDS SHOWA DENKO K. K. (JP) 2003-05-22 WO disclosed
US-4082806-A PREPARATION OF TETRAKETONES WRIGHT STATE UNIVERSITY (US) 1978-04-04 US disclosed
US-4000187-A THERMAL STABILITY, COATINGS, CAST FILMS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1976-12-28 US disclosed