SCHEMBL4191233

SCHEMBL4191233

CCOC(=O)C1=CC(C)(C)NC(C)(C)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA7 P43166 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA14 Q9ULX7 2/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL5599103 0.75 KMT2A (0.49) KMT2AMEN1ALDH1A1MAPK1TSHR
SCHEMBL1812933 0.70 MAPK1 (0.38) KMT2AKDM4EMEN1MAPTALOX15
SCHEMBL1812932 0.70 MAPK1 (0.38) KMT2AKDM4EMEN1MAPTALOX15
SCHEMBL10743660 0.69 KDM4E (0.43) KMT2AKDM4EMEN1MAPTALOX15
SCHEMBL27697361 0.69 KDM4E (0.36) KMT2AKDM4EMEN1MAPTALOX15
SCHEMBL23560803 0.68 KDM4E (0.41) KMT2AKDM4EMEN1MAPTALOX15
SCHEMBL16579347 0.68 KDM4E (0.41) KMT2AKDM4EMEN1MAPTALOX15
SCHEMBL8059021 0.67 MAPT (0.40) KMT2AKDM4EMEN1MAPTALOX15
SCHEMBL11394309 0.66 CA12 (0.40) KMT2AKDM4EMEN1MAPTALOX15
SCHEMBL10447298 0.65 TSHR (0.48) KMT2AKDM4EMEN1MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1332196-A1 BLENDS OF QUINONE ALKIDE AND NITROXYL COMPOUNDS AS POLYMERIZATION INHIBITORS Uniroyal Chemical Company, Inc. (US) 2003-08-06 — — EP claimed
WO-2002033026-A1 BLENDS OF QUINONE ALKIDE AND NITROXYL COMPOUNDS AS POLYMERIZATION INHIBITORS UNIROYAL CHEMICAL COMPANY, INC. (US) 2002-04-25 — — WO claimed
EP-1794107-B8 SULFONATED NITROPHENOLS AS POLYMERIZATION INHIBITORS CHEMTURA CORP (US) 2009-02-25 — — EP disclosed
EP-1794107-A1 SULFONATED NITROPHENOLS AS POLYMERIZATION INHIBITORS Chemtura USA Corporation (US) 2007-06-13 — — EP disclosed
WO-2006036426-A1 SULFONATED NITROPHENOLS AS POLYMERIZATION INHIBITORS CHEMTURA CORPORATION (US) 2006-04-06 — — WO disclosed
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