SCHEMBL8171111

SCHEMBL8171111

CCOC(=O)/C=C/CC(C/C=C/C1OC(C)O1)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
LMNA P02545 3/20 0.40
MDM2 Q00987 2/20 0.40
MDM4 O15151 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
CTSL P07711 3/20 0.38
MMP8 P22894 1/20 0.38
ALDH1A1 P00352 1/20 0.37
THRB P10828 1/20 0.37
HCAR2 Q8TDS4 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSB P07858 2/20 0.36
RAB9A P51151 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
SCHEMBL8173102 0.78 MAPT (0.41) MAPTLMNAMDM2MDM4L3MBTL1
SCHEMBL7023950 0.72 HCAR2 (0.47) MAPTLMNAMDM2L3MBTL1ALDH1A1
SCHEMBL8242959 0.72 HCAR2 (0.47) MAPTLMNAMDM2L3MBTL1ALDH1A1
SCHEMBL8179462 0.70 MAPT (0.59) MAPTLMNAMDM2L3MBTL1ALDH1A1
SCHEMBL5405527 0.70 MAPT (0.56) MAPTLMNAMDM2MDM4MMP8
SCHEMBL5405533 0.70 MAPT (0.56) MAPTLMNAMDM2MDM4MMP8
SCHEMBL6263496 0.69 MAPT (0.57) MAPTLMNAMDM2MDM4ALDH1A1
SCHEMBL6263498 0.69 MAPT (0.57) MAPTLMNAMDM2MDM4ALDH1A1
SCHEMBL13039748 0.69 HCAR2 (0.62) MAPTLMNAL3MBTL1ALDH1A1HCAR2
SCHEMBL30999261 0.69 MAPT (0.48) MAPTLMNAMDM2MDM4L3MBTL1

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
WO-2008088690-A2 A PROCESS FOR PREPARING DIAZABICYCLO[3.3.1] NONANE COMPOUNDS MERCK & CO., INC. (US) 2008-07-24 WO disclosed