SCHEMBL4071052

SCHEMBL4071052

[CH2]C(C)CNC(=O)NC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.47
ALDH1A1 P00352 4/20 0.42
MAPT P10636 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.38
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
EPHX2 P34913 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
CA9 Q16790 1/20 0.33
ABCB1 P08183 1/20 0.33
PCNA P12004 1/20 0.33

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
SCHEMBL777387 0.81 MAPT (0.59) EPHX1ALDH1A1MAPTMEN1KMT2A
SCHEMBL12448169 0.79 EPHX1 (0.48) EPHX1ALDH1A1MAPTMEN1KMT2A
SCHEMBL16556409 0.79 EPHX1 (0.48) EPHX1ALDH1A1MAPTMEN1KMT2A
SCHEMBL12448166 0.79 EPHX1 (0.48) EPHX1ALDH1A1MAPTMEN1KMT2A
SCHEMBL2625569 0.77 EPHX1 (0.47) EPHX1ALDH1A1MAPTMEN1KMT2A
SCHEMBL20718464 0.77 ALDH1A1 (0.47) EPHX1ALDH1A1MAPTMEN1KMT2A
SCHEMBL16437476 0.77 EPHX1 (0.47) EPHX1ALDH1A1MAPTMEN1KMT2A
SCHEMBL1234205 0.76
SCHEMBL2625573 0.74 EPHX1 (0.48) EPHX1ALDH1A1MAPTMEN1KMT2A
SCHEMBL14508451 0.74 EPHX1 (0.44) EPHX1ALDH1A1MAPTMEN1KMT2A

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