SCHEMBL4634262

SCHEMBL4634262

Cc1ccc(C2(c3ccc(C)cc3O)OS(=O)(=O)c3ccccc32)c(O)c1.[NaH]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.65
ALDH1A1 P00352 3/20 0.65
CYP3A4 P08684 2/20 0.65
MAPK1 P28482 1/20 0.65
CDK2 P24941 1/20 0.58
PTPN11 Q06124 2/20 0.58
LMNA P02545 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
HIF1A Q16665 1/20 0.54
TRPA1 O75762 1/20 0.33
NPSR1 Q6W5P4 3/20 0.33
MAPT P10636 3/20 0.33
POLB P06746 2/20 0.33
ALOX12 P18054 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
PDK2 Q15119 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32

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
SCHEMBL410463 0.99 TDP1 (0.67) TDP1ALDH1A1CYP3A4MAPK1CDK2
SCHEMBL16285462 0.84 MEN1 (0.66) TDP1ALDH1A1CYP3A4MAPK1CDK2
SCHEMBL5936692 0.82 ALDH1A1 (0.56) TDP1ALDH1A1CYP3A4MAPK1CDK2
SCHEMBL12218631 0.81 ALDH1A1 (0.54) TDP1ALDH1A1CYP3A4MAPK1CDK2
SCHEMBL16303147 0.80 TDP1 (0.68) TDP1ALDH1A1CYP3A4MAPK1CDK2
SCHEMBL3422255 0.80 PTPN11 (0.76) TDP1ALDH1A1CYP3A4MAPK1CDK2
SCHEMBL220836 0.79 TDP1 (0.71) TDP1ALDH1A1CYP3A4MAPK1CDK2
SCHEMBL62880 0.79 CYP3A4 (1.00) TDP1ALDH1A1CYP3A4MAPK1CDK2
SCHEMBL29369363 0.79 TDP1 (0.71) TDP1ALDH1A1CYP3A4MAPK1CDK2
SCHEMBL29446745 0.79 CYP3A4 (1.00) TDP1ALDH1A1CYP3A4MAPK1CDK2

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-1934561-B1 IMPROVED TIME/TEMPERATURE INDICATORS SUN CHEMICAL CORP (US) 2018-11-07 EP disclosed
US-20080269050-A1 Time/Temperature Indicators SUN CHEMICAL CORPORATION (US) 2008-10-30 US disclosed
EP-1934561-A1 IMPROVED TIME/TEMPERATURE INDICATORS Sun Chemical Corporation (US) 2008-06-25 EP disclosed
WO-2007035365-A1 IMPROVED TIME/TEMPERATURE INDICATORS SUN CHEMICAL CORPORATION (US) 2007-03-29 WO disclosed
WO-2006091464-A1 IMPROVED TIME/ TEMPERATURE INDICATORS SUN CHEMICAL CORPORATION (US) 2006-08-31 WO disclosed
WO-2006091465-A1 TIME/TEMPERATURE INDICATORS, THEIR PREPARATION AND USE SUN CHEMICAL CORPORATION (US) 2006-08-31 WO disclosed