SCHEMBL5218771

SCHEMBL5218771

CC(C)(C)N(C(=O)O)[C@@H](Cc1ccc(Cl)cc1)[C@H](O)CNC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX1 P07099 2/20 0.40
KDM4E B2RXH2 1/20 0.40
BACE1 P56817 3/20 0.40
CTSD P07339 2/20 0.40
BACE2 Q9Y5Z0 2/20 0.40
TACR2 P21452 1/20 0.39
TACR1 P25103 1/20 0.39
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
ANPEP P15144 2/20 0.37
ERAP2 Q6P179 2/20 0.37
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL5218781 1.00 POLB (0.43) POLBGAASMN1; SMN2EPHX1KDM4E
SCHEMBL5224070 0.88 EPHX2 (0.47) GAAEPHX1KDM4EBACE1CTSD
SCHEMBL5224084 0.88 EPHX2 (0.47) GAAEPHX1KDM4EBACE1CTSD
SCHEMBL5220541 0.83 KDM4E (0.44) POLBSMN1; SMN2KDM4EBACE1CTSD
SCHEMBL5220548 0.83 KDM4E (0.44) POLBSMN1; SMN2KDM4EBACE1CTSD
SCHEMBL5221255 0.80 USP2 (0.46) SMN1; SMN2KDM4EBACE1CTSDBACE2
SCHEMBL5221262 0.80 USP2 (0.46) SMN1; SMN2KDM4EBACE1CTSDBACE2
SCHEMBL5223476 0.80 BACE1 (0.44) BACE1CTSDBACE2
SCHEMBL4693111 0.80 BACE1 (0.41) BACE1CTSDBACE2
SCHEMBL5223477 0.80 BACE1 (0.44) BACE1CTSDBACE2

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