SCHEMBL3407979

SCHEMBL3407979

CCOC(=O)C(C(=O)C(=CN(C)C)c1ccccc1)c1ccccc1.CCOC(=O)C(C(=O)Cc1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP8 P22894 2/20 0.43
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ MAPK8 P45983 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ F10 P00742 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 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
SCHEMBL3412811 0.91 MMP8 (0.51) MMP8MEN1NPC1KMT2AL3MBTL1
SCHEMBL3407982 0.83 MMP8 (0.37) MMP8MEN1NPC1KMT2ACA12
SCHEMBL4091310 0.82 MMP8 (0.60) MMP8MEN1NPC1KMT2AL3MBTL1
SCHEMBL8936806 0.71 ALDH1A1 (0.51) MEN1NPC1KMT2AL3MBTL1ALDH1A1
SCHEMBL19040949 0.71 ALDH1A1 (0.51) MEN1NPC1KMT2AL3MBTL1ALDH1A1
SCHEMBL11549783 0.70 CES2 (0.52) MEN1NPC1KMT2ACA12CA9
SCHEMBL11549787 0.70 CES2 (0.52) MEN1NPC1KMT2ACA12CA9
SCHEMBL11228384 0.70 MMP8 (0.66) MMP8MEN1NPC1KMT2ACA12
SCHEMBL957814 0.70 MMP8 (0.66) MMP8MEN1NPC1KMT2ACA12
SCHEMBL25735405 0.69 ALDH1A1 (0.54) MEN1NPC1KMT2AL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 — — EP disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 — — WO disclosed
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