SCHEMBL4071049

SCHEMBL4071049

CC(C)[CH]NC(=O)NC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 1/20 0.38
EPHX1 P07099 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
EPHX2 P34913 1/20 0.35
HSD17B10 Q99714 1/20 0.33
PKM P14618 1/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 2/20 0.30

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
SCHEMBL968817 0.77
SCHEMBL3991780 0.77
SCHEMBL745482 0.74 ALDH1A1 (0.54) TSHRALDH1A1GAAMEN1KMT2A
SCHEMBL5276901 0.73 ALDH1A1 (0.44) TSHRALDH1A1GAAMEN1KMT2A
SCHEMBL1525220 0.70
SCHEMBL19315826 0.69 ALDH1A1 (0.44) TSHRALDH1A1GAAMEN1KMT2A
SCHEMBL3991048 0.69 CYP2D6 (0.34) GAAKMT2A
SCHEMBL5148872 0.69
SCHEMBL14125489 0.69 EPHX1 (0.44) TSHRALDH1A1GAAMEN1KMT2A
SCHEMBL2878176 0.67

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-1673087-A4 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2009-04-08 EP disclosed
EP-1673087-A2 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-06-28 EP disclosed
WO-2005032484-A2 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-04-14 WO disclosed