SCHEMBL6558576

SCHEMBL6558576

CC(CO)COC(=O)c1ccccc1.O=C(O)c1ccc(CCO)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.58
CYP4A11 Q02928 3/20 0.52
CYP4F2 P78329 2/20 0.52
ALDH1A1 P00352 2/20 0.50
ADRB2 P07550 4/20 0.45
ADRB1 P08588 4/20 0.45
ADRB3 P13945 4/20 0.45
PRKCA P17252 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SLC1A5 Q15758 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTPN1 P18031 1/20 0.39

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
SCHEMBL8063408 0.86 MAPT (0.76) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL5153013 0.85 ALDH1A1 (0.62) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL7771559 0.80 MAPT (0.64) MAPTALDH1A1ADRB2ADRB1ADRB3
Ethylene Glycol SCHEMBL11169176 0.79 ALDH1A1 (0.68) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL11146237 0.79 MAPT (0.83) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL2819868 0.78 MAPT (0.55) MAPTCYP4A11CYP4F2ALDH1A1ADRB2
SCHEMBL571219 0.77 ALDH1A1 (0.69) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL16673221 0.76 ALDH1A1 (0.56) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL25812488 0.76 MAPT (0.53) MAPTCYP4A11CYP4F2ADRB2ADRB1
SCHEMBL28942313 0.76 ALDH1A1 (0.64) MAPTALDH1A1ADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390210-A1 METHOD OF MANUFACTURING HEAT SENSITIVE RECORDING MATERIAL AND HEAT SENSITIVE RECORDING MATERIAL Jujo Thermal Oy (FI) 2004-02-25 EP disclosed
WO-2002094575-A1 METHOD OF MANUFACTURING HEAT SENSITIVE RECORDING MATERIAL AND HEAT SENSITIVE RECORDING MATERIAL JUJO THERMAL OY (FI) 2002-11-28 WO disclosed