SCHEMBL4636008

SCHEMBL4636008

CCOC(=O)C1=C(C)N=C(C)C(C(=O)OCC)C1c1cc(OC)c(OC)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 2/20 0.40
CACNA1C Q13936 7/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNA1S Q13698 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ALPL P05186 1/20 0.38
BLM P54132 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
THRB P10828 1/20 0.38
TNF P01375 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL10377686 0.79 MAPT (0.47) ALDH1A1KDM4ETDP1MAPTMEN1
SCHEMBL1617099 0.75 CACNA1C (0.58) ALDH1A1KDM4ETDP1MAPTCACNA1C
SCHEMBL12716471 0.72 KDM4E (0.50) ALDH1A1KDM4ETDP1MAPTCACNA1C
SCHEMBL2333730 0.70 HTT (0.59) ALDH1A1KDM4ETDP1MAPTMEN1
SCHEMBL18191095 0.67 ALDH1A1 (0.43) ALDH1A1KDM4ETDP1MAPTCACNA1C
SCHEMBL8263297 0.66 MEN1 (0.55) ALDH1A1KDM4ETDP1MAPTMEN1
SCHEMBL7980336 0.66 HTT (0.51) ALDH1A1KDM4ETDP1MAPTMEN1
SCHEMBL2331208 0.64 ALDH1A1 (0.50) ALDH1A1KDM4ETDP1MAPTMEN1
SCHEMBL11545904 0.64 DHFR (0.48) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL28424369 0.63 POLB (0.54) ALDH1A1KDM4ETDP1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2006091465-A1 TIME/TEMPERATURE INDICATORS, THEIR PREPARATION AND USE SUN CHEMICAL CORPORATION (US) 2006-08-31 WO disclosed
WO-2006091464-A1 IMPROVED TIME/ TEMPERATURE INDICATORS SUN CHEMICAL CORPORATION (US) 2006-08-31 WO disclosed