SCHEMBL5221024

SCHEMBL5221024

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 4/20 0.35
POLB P06746 1/20 0.34
TP53 P04637 5/20 0.32
MAPT P10636 1/20 0.31
P2RX7 Q99572 2/20 0.31
PTGER1 P34995 1/20 0.31
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
SCHEMBL5221018 0.89 MRGPRX4 (0.30) MRGPRX4
SCHEMBL5223792 0.81 KMT2A (0.37) PIK3C3POLBTP53P2RX7
SCHEMBL5222900 0.77 CTSD (0.37) PIK3C3POLBTP53MAPT
SCHEMBL5218901 0.74 BACE1 (0.40) POLBTP53
SCHEMBL5223174 0.71 BACE1 (0.49) PIK3C3POLBTP53MAPT
SCHEMBL5220634 0.68 BACE1 (0.52) POLB
SCHEMBL5219385 0.67 POLB (0.39) PIK3C3POLBTP53
SCHEMBL6828695 0.66 POLB (0.47) PIK3C3POLBTP53
SCHEMBL5221011 0.65 CTSD (0.39) PIK3C3POLBTP53MAPT
SCHEMBL5218650 0.65 POLB (0.44) POLBTP53

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