SCHEMBL5224501

SCHEMBL5224501

CCN1CCc2c1cc(C(=O)O)cc2N1CCCCS1(O)O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
INMT O95050 1/20 0.33
ACHE P22303 1/20 0.32
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL5224504 0.88 POLB (0.46) POLBINMTACHE
SCHEMBL5222429 0.87 SMN1; SMN2 (0.34) ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL5219330 0.77 POLB (0.30) POLB
SCHEMBL5222432 0.76 TP53 (0.38) POLBALDH1A1KDM4EHSD17B10
SCHEMBL5224401 0.73 POLB (0.35) POLB
SCHEMBL5219484 0.73 BACE1 (0.44) POLBALDH1A1KDM4EHPGD
SCHEMBL6226616 0.73 POLB (0.33) POLB
SCHEMBL5217639 0.73 CTSD (0.37) POLBHPGD
SCHEMBL6184270 0.72 UCHL1 (0.39) ALDH1A1KDM4EHSD17B10
SCHEMBL5223926 0.71 CTSD (0.36) POLBTSHR

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