SCHEMBL5223619

SCHEMBL5223619

CC(C)(C)N(C(=O)O)[C@@H](Cc1ccccc1)[C@H](O)CNCCc1ccc(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HPGD P15428 1/20 0.47
METAP2 P50579 2/20 0.45
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
HDAC8 Q9BY41 3/20 0.41
CTSD P07339 1/20 0.39
TMEM97 Q5BJF2 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
CNR1 P21554 1/20 0.36

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
SCHEMBL5223626 1.00 MEN1 (0.49) MEN1KMT2AHPGDMETAP2PLAAT3
SCHEMBL5219507 0.87 SLC2A1 (0.46) MEN1KMT2AHPGDPLAAT3PLAAT5
SCHEMBL5219515 0.87 SLC2A1 (0.46) MEN1KMT2AHPGDPLAAT3PLAAT5
SCHEMBL5223464 0.87 ADRB3 (0.41) MEN1KMT2APLAAT3PLAAT5PLAAT2
SCHEMBL5223472 0.87 ADRB3 (0.41) MEN1KMT2APLAAT3PLAAT5PLAAT2
SCHEMBL5219638 0.84 ADRB3 (0.43) MEN1KMT2AL3MBTL1ADRB3
SCHEMBL5219646 0.84 ADRB3 (0.43) MEN1KMT2AL3MBTL1ADRB3
SCHEMBL5217754 0.84 PLAAT3 (0.43) MEN1KMT2APLAAT3PLAAT5PLAAT2
SCHEMBL5217761 0.84 PLAAT3 (0.43) MEN1KMT2APLAAT3PLAAT5PLAAT2
SCHEMBL5223889 0.83 ALDH1A1 (0.38) MEN1KMT2AL3MBTL1ADRB1ADRB3

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
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed