SCHEMBL4596682

SCHEMBL4596682

CCCC(c1ccc(OC)cc1O)c1ccc(OC)cc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.61
BCHE P06276 1/20 0.61
ACHE P22303 1/20 0.61
TAS1R3 Q7RTX0 2/20 0.51
TAS1R1 Q7RTX1 2/20 0.51
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.42
TRIM24 O15164 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 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
SCHEMBL4596224 0.86 BCHE (0.50) TYRBCHEACHETAS1R3TAS1R1
SCHEMBL21830474 0.85 TYR (0.57) TYRBCHEACHETAS1R3TAS1R1
SCHEMBL29492431 0.85 TYR (0.57) TYRBCHEACHETAS1R3TAS1R1
SCHEMBL4596678 0.82 TYR (0.50) TYRCYP3A4CYP2D6CYP2C19MEN1
SCHEMBL15412975 0.80 TYR (0.71) TYRBCHEACHEALDH1A1HPGD
SCHEMBL4659696 0.80 BCHE (0.58) TYRBCHEACHEMAPK1KDM4E
SCHEMBL11672829 0.79 ALDH1A1 (0.46) TYRBCHEACHETAS1R3TAS1R1
SCHEMBL25237599 0.79 BCHE (0.48) TYRBCHEACHEPOLBMAPK1
SCHEMBL11961096 0.77 TYR (0.59) TYRBCHEACHETAS1R3TAS1R1
SCHEMBL28957756 0.77 TYR (0.59) TYRBCHEACHETAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1437231-B1 DEVELOPER FOR THERMAL RECORDING MATERIAL AND THERMAL RECORDING MATERIALS API CORP (JP) 2008-01-09 EP disclosed
US-20040241598-A1 Developer for thermal recording material and thermal recording materials NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2004-12-02 US disclosed
EP-1437231-A1 DEVELOPER FOR THERMAL RECORDING MATERIAL AND THERMAL RECORDING MATERIALS API Corporation (JP) 2004-07-14 EP disclosed