SCHEMBL9716546

SCHEMBL9716546

CCCCCCCC(=O)Oc1cccc(O)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPK1 P28482 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CYP3A4 P08684 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
POLM Q9NP87 1/20 0.48
POLK Q9UBT6 1/20 0.48
POLL Q9UGP5 1/20 0.48
POLH Q9Y253 1/20 0.48
CA2 P00918 2/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL32684489 1.00 KMT2A (0.56) KMT2AMEN1ALDH1A1MAPK1TDP1
SCHEMBL6139167 1.00 KMT2A (0.56) KMT2AMEN1ALDH1A1MAPK1TDP1
SCHEMBL9538006 1.00 KMT2A (0.56) KMT2AMEN1ALDH1A1MAPK1TDP1
SCHEMBL3638907 0.98 CYP3A4 (0.56) KMT2AMEN1ALDH1A1MAPK1TDP1
SCHEMBL4079668 0.94 CYP3A4 (0.57) KMT2AMEN1ALDH1A1MAPK1TDP1
SCHEMBL688275 0.92 CYP3A4 (0.58) KMT2AMEN1ALDH1A1MAPK1TDP1
SCHEMBL809344 0.92 CYP3A4 (0.58) KMT2AMEN1ALDH1A1MAPK1TDP1
SCHEMBL689630 0.92 CYP3A4 (0.58) KMT2AMEN1ALDH1A1MAPK1TDP1
SCHEMBL16974800 0.92 POLM (0.54) KMT2AMEN1ALDH1A1MAPK1TDP1
SCHEMBL16974801 0.92 POLM (0.54) KMT2AMEN1ALDH1A1MAPK1TDP1

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
EP-0252724-B1 METHOD OF ESTERIFYING DIHYDROXYBENZENES The Clorox Company (US) 1992-12-30 EP disclosed
US-4964870-A AND HYDROGEN PEROXIDE THE CLOROX COMPANY (US) 1990-10-23 US disclosed
US-4814110-A MONOESTERIFICATION WITH ONE ANHYDRIDE, ESTERIFICATION WITH SECOND ANHYDRIDE THE CLOROX COMPANY (US) 1989-03-21 US disclosed
EP-0252724-A2 Method of esterifying dihydroxybenzenes The Clorox Company (US) 1988-01-13 EP disclosed
EP-0185522-A2 Phenylene mixed diester peracid precursors The Clorox Company (US) 1986-06-25 EP disclosed