SCHEMBL8961478

SCHEMBL8961478

Oc1cc(O)c(Cc2ccccc2)cc1Cl.Oc1ccc(Cc2ccc(Cl)cc2)c(O)c1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
MAPT P10636 1/20 0.72
ALOX5 P09917 2/20 0.67
CYP3A4 P08684 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
HIF1A Q16665 1/20 0.55
HSD17B10 Q99714 1/20 0.55
HSP90AA1 P07900 3/20 0.45
KEAP1 Q14145 1/20 0.45
BCL2 P10415 1/20 0.44
BCL2L1 Q07817 1/20 0.44
MAOB P27338 1/20 0.41

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
SCHEMBL7692955 0.91 MEN1 (0.87) MEN1KMT2AMAPTALOX5CYP3A4
SCHEMBL875812 0.85 MEN1 (1.00) MEN1KMT2AMAPTALOX5CYP3A4
SCHEMBL574272 0.85 MEN1 (0.62) MEN1KMT2AMAPTALOX5CYP3A4
SCHEMBL29655583 0.82 ALOX5 (1.00) MEN1KMT2AMAPTALOX5CYP3A4
SCHEMBL29655585 0.82 ALOX5 (1.00) MEN1KMT2AMAPTALOX5CYP3A4
SCHEMBL68292 0.82 ALOX5 (1.00) MEN1KMT2AMAPTALOX5CYP3A4
Clorophene SCHEMBL9761818 0.78 MEN1 (0.79) MEN1KMT2AMAPTALOX5CYP3A4
SCHEMBL11260186 0.77 MEN1 (0.65) MEN1KMT2AMAPTCYP3A4HPGD
SCHEMBL6916752 0.77 ALOX5 (0.75) MEN1KMT2AMAPTALOX5CYP3A4
SCHEMBL4055779 0.76 MAPT (0.81) MEN1KMT2AMAPTALOX5CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0693919-A1 ORAL COMPOSITIONS FOR TREATING PLAQUE AND GINGIVITIS CONTAINING A NONCATIONIC ANTIBACTERIAL AGENT AND A BICARBONATE SALT THE PROCTER & GAMBLE COMPANY (US) 1996-01-31 EP disclosed
EP-0676948-A1 ANTIPLAQUE, ANTIGINGIVITIS, ANTICARIES ORAL COMPOSITION Colgate-Palmolive Company (US) 1995-10-18 EP disclosed
WO-1994023691-A2 ORAL COMPOSITIONS FOR TREATING PLAQUE AND GINGIVITIS CONTAINING A NONCATIONIC ANTIBACTERIAL AGENT AND A BICARBONATE SALT THE PROCTER & GAMBLE COMPANY (US) 1994-10-27 WO disclosed
WO-1994013254-A1 ANTIPLAQUE, ANTIGINGIVITIS, ANTICARIES ORAL COMPOSITION COLGATE-PALMOLIVE COMPANY (US) 1994-06-23 WO disclosed