SCHEMBL9716532

SCHEMBL9716532

CCCCCCCC(=O)Oc1cccc(OC(C)=O)c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPK1 P28482 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
CYP3A4 P08684 1/20 0.50
HTR1A P08908 1/20 0.48
HTR1B P28222 1/20 0.48
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
ACHE P22303 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
SCHEMBL17138156 0.94 KMT2A (0.61) KMT2AMEN1ALDH1A1MAPK1TDP1
SCHEMBL17138195 0.94 KMT2A (0.61) KMT2AMEN1ALDH1A1MAPK1TDP1
SCHEMBL17138196 0.94 KMT2A (0.61) KMT2AMEN1ALDH1A1MAPK1TDP1
SCHEMBL9716543 0.94 KMT2A (0.61) KMT2AMEN1ALDH1A1MAPK1TDP1
SCHEMBL10407331 0.92 KMT2A (0.60) KMT2AMEN1ALDH1A1MAPK1TDP1
SCHEMBL26564896 0.87 LMNA (0.61) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL17138157 0.87 KMT2A (0.54) KMT2AMEN1ALDH1A1MAPK1TDP1
SCHEMBL29000081 0.87 KMT2A (0.55) KMT2AMEN1ALDH1A1MAPK1TDP1
SCHEMBL8846918 0.86 KMT2A (0.57) KMT2AMEN1ALDH1A1MAPK1TDP1
SCHEMBL8430064 0.86 KMT2A (0.57) 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 6 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
EP-0185522-B1 PHENYLENE MIXED DIESTER PERACID PRECURSORS The Clorox Company (US) 1990-11-07 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