SCHEMBL5221018

SCHEMBL5221018

CCCc1cc(C(=O)O)c(F)c(N2CCCS2(O)O)c1C

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 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
SCHEMBL5221024 0.89 PIK3C3 (0.35) MRGPRX4
SCHEMBL5218910 0.74 MCL1 (0.34)
SCHEMBL5223182 0.71 BACE1 (0.40)
SCHEMBL5223792 0.69 KMT2A (0.37)
SCHEMBL5220629 0.68 BACE1 (0.43)
SCHEMBL5222900 0.68 CTSD (0.37)
SCHEMBL5218643 0.65 DRD2 (0.35)
SCHEMBL5218901 0.64 BACE1 (0.40)
SCHEMBL5219833 0.63 BACE1 (0.41)
SCHEMBL5223868 0.62 CTSD (0.34)

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