SCHEMBL28045841

SCHEMBL28045841

CC(C)(C)C(=O)ON1CCC(=Cc2ccc3ccccc3c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MMP2 P08253 1/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ ADAM17 P78536 1/20 0.37
▸ MMP17 Q9ULZ9 1/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ AKR1B1 P15121 1/20 0.36
▸ PTGS1 P23219 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL28175071 0.84 SRD5A2 (0.40) MMP2MMP3MMP9MMP13ADAM17
SCHEMBL27594084 0.81 NPSR1 (0.39) SMN1; SMN2MMP2MMP3MMP9MMP13
SCHEMBL3642719 0.81 GRM5 (0.47) ABCB1BACE1KDM4E
SCHEMBL27552573 0.80 PROKR1 (0.40) PPARAALDH1A1GAAMAPT
SCHEMBL28045806 0.79 OGA (0.47) LMNAKDM4EALDH1A1MAPT
SCHEMBL28056789 0.79 HDAC1 (0.34) BACE1
SCHEMBL27785450 0.78 KDM4E (0.48) L3MBTL1MMP3MMP13AKR1B1KDM4E
SCHEMBL28045832 0.78 ACHE (0.39) LMNASMN1; SMN2MMP2MMP3MMP9
SCHEMBL27512006 0.77 OGA (0.46) SMN1; SMN2KDM4EALDH1A1GAAMAPT
SCHEMBL31611716 0.72 HDAC1 (0.45) PPARAAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105143222-A Glycosidase inhibitors MERCK PATENT GMBH 2015-12-09 — — CN disclosed
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