SCHEMBL5221702

SCHEMBL5221702

COc1ccc(CCNC[C@@H](O)[C@H](Cc2ccccc2)N(C(=O)O)C(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
KDM4E B2RXH2 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
ATM Q13315 1/20 0.51
ANPEP P15144 2/20 0.50
ERAP2 Q6P179 2/20 0.50
ADRB3 P13945 4/20 0.47
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
ALDH1A1 P00352 1/20 0.43
ADRB2 P07550 1/20 0.43

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
SCHEMBL5221710 1.00 GAA (0.54) GAAKDM4ESMN1; SMN2TDP1KMT2A
SCHEMBL5219646 0.92 ADRB3 (0.43) GAAKDM4ESMN1; SMN2TDP1KMT2A
SCHEMBL5219638 0.92 ADRB3 (0.43) GAAKDM4ESMN1; SMN2TDP1KMT2A
SCHEMBL5224856 0.91 KDM4E (0.43) GAAKDM4ESMN1; SMN2TDP1KMT2A
SCHEMBL5224863 0.91 KDM4E (0.43) GAAKDM4ESMN1; SMN2TDP1KMT2A
SCHEMBL5216394 0.90 OPRM1 (0.47) GAAKDM4ESMN1; SMN2TDP1KMT2A
SCHEMBL5216401 0.90 OPRM1 (0.47) GAAKDM4ESMN1; SMN2TDP1KMT2A
SCHEMBL5224496 0.89 ADRB3 (0.42) GAAKDM4ESMN1; SMN2TDP1KMT2A
SCHEMBL5224503 0.89 ADRB3 (0.42) GAAKDM4ESMN1; SMN2TDP1KMT2A
SCHEMBL5223464 0.88 ADRB3 (0.41) GAAKDM4ESMN1; SMN2TDP1KMT2A

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