SCHEMBL4792425

SCHEMBL4792425

CC(C)c1ccc(N2CC=CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
MAPK1 P28482 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
ALOX15 P16050 2/20 0.42
ALOX12 P18054 2/20 0.42
NOTUM Q6P988 2/20 0.42
PTGS1 P23219 2/20 0.41
CHRM1 P11229 1/20 0.41
LMNA P02545 4/20 0.41
PANK3 Q9H999 2/20 0.40
HPGD P15428 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL20251137 0.83 MAPT (0.51) MGLLMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL18596315 0.80 MAPT (0.46) MGLLMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL277165 0.79 ALDH1A1 (0.54) MGLLMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL18118174 0.79 HPGD (0.52) MGLLMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL847809 0.77 ALDH1A1 (0.57) MGLLMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL18118180 0.77 ALDH1A1 (0.57) MGLLMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL101926 0.76 ALDH1A1 (0.64) KMT2AL3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL21610848 0.76 MEN1 (0.46) MGLLMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL2627852 0.76 ALDH1A1 (0.67) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL20258483 0.76 ADRB1 (0.53) MEN1KMT2AL3MBTL1ALDH1A1MAPT

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
US-7332516-B2 Geminally di-substituted NSAID derivatives as Aβ42 lowering agents MERCK + CO., INC. (US) 2008-02-19 US disclosed
WO-2008010061-A2 3-AZABICYCLO [3.1.0] HEXANE VANILLOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2008-01-24 WO disclosed