SCHEMBL5224401

SCHEMBL5224401

CCN(CC)c1cc(C(=O)O)cc(N2CCCCS2(O)O)c1C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
HCAR3 P49019 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL5224403 0.88 POLB (0.45) POLBHCAR3TP53
SCHEMBL5219935 0.88 ALDH1A1 (0.34)
SCHEMBL5219484 0.79 BACE1 (0.44) POLBHCAR3HTT
SCHEMBL5219941 0.76 POLB (0.37) POLBTP53
SCHEMBL5219833 0.75 BACE1 (0.41) POLBHCAR3TP53HTT
SCHEMBL5219381 0.74 GPR35 (0.37) POLBHCAR3TP53
SCHEMBL5224501 0.73 POLB (0.36) POLB
SCHEMBL5217639 0.72 CTSD (0.37) POLB
SCHEMBL5218643 0.70 DRD2 (0.35) POLB
SCHEMBL5223926 0.70 CTSD (0.36) POLB

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