SCHEMBL9224006

SCHEMBL9224006

COc1ccc(C)cc1C(CC(=O)Cl)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.52
GAA P10253 3/20 0.52
MAPT P10636 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 4/20 0.47
RECQL P46063 1/20 0.46
NPSR1 Q6W5P4 4/20 0.45
HTT P42858 3/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 2/20 0.44
CTSA P10619 2/20 0.43
POLB P06746 1/20 0.43
BRD4 O60885 1/20 0.42

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
SCHEMBL617039 0.89 KMT2A (0.54) KMT2AGAAMAPTL3MBTL1ALDH1A1
SCHEMBL30232579 0.89 KMT2A (0.54) KMT2AGAAMAPTL3MBTL1ALDH1A1
SCHEMBL2789512 0.86 KMT2A (0.54) KMT2AGAAMAPTL3MBTL1ALDH1A1
SCHEMBL1989522 0.85 PTGER1 (0.46) KMT2AGAAMAPTL3MBTL1ALDH1A1
SCHEMBL1989523 0.85 PTGER1 (0.46) KMT2AGAAMAPTL3MBTL1ALDH1A1
SCHEMBL13196105 0.84 KMT2A (0.46) KMT2AGAAMAPTL3MBTL1ALDH1A1
SCHEMBL9222660 0.82 KMT2A (0.50) KMT2AGAAMAPTL3MBTL1ALDH1A1
SCHEMBL615095 0.79 MAPT (0.46) KMT2AGAAMAPTL3MBTL1ALDH1A1
SCHEMBL3963434 0.78 KMT2A (0.43) KMT2AGAAMAPTL3MBTL1ALDH1A1
SCHEMBL4307252 0.77 ACP1 (0.42) KMT2AGAAALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358399-B2 Process for the preparation of N,N-diisopropyl-3-(2-hydroxy-5-methylphenyl)-3-phenyl-propaneamine CHEMI SPA (IT) 2008-04-15 US disclosed
US-7358399-B2 Process for the preparation of N,N-diisopropyl-3-(2-hydroxy-5-methylphenyl)-3-phenyl-propaneamine CHEMI SPA (IT) 2008-04-15 US disclosed
US-5382600-A 3,3-diphenylpropylamines and pharmaceutical compositions thereof PHARMACIA AKTIEBOLAG (SE) 1995-01-17 US disclosed
EP-0325571-B1 NEW AMINES, THEIR USE AND PREPARATION Kabi Pharmacia AB (SE) 1991-08-07 EP disclosed
EP-0354234-A1 NEW AMINES, THEIR USE AND PREPARATION KabiVitrum AB (SE) 1990-02-14 EP disclosed
WO-1989006644-A1 NEW AMINES, THEIR USE AND PREPARATION KABIVITRUM AB (SE) 1989-07-27 WO disclosed
EP-0325571-A1 New amines, their use and preparation Kabi Pharmacia AB (SE) 1989-07-26 EP disclosed