SCHEMBL17530475

SCHEMBL17530475

CCC(N)C(CC)Oc1cc(F)cc(S(C)(=O)=O)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LOX P28300 2/20 0.35
▸ EPAS1 Q99814 3/20 0.34
▸ GBA1 P04062 4/20 0.33
▸ PTGS2 P35354 5/20 0.33
▸ PTGS1 P23219 3/20 0.33
▸ NR1H2 P55055 4/20 0.31
▸ NR1H3 Q13133 4/20 0.31
▸ SLC6A4 P31645 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
SCHEMBL13732233 0.79 LOX (0.38) LOXEPAS1GBA1PTGS2PTGS1
SCHEMBL13730937 0.78 LOX (0.36) LOXEPAS1GBA1PTGS2PTGS1
SCHEMBL30807872 0.77 GBA1 (0.41) LOXEPAS1GBA1PTGS2PTGS1
SCHEMBL13732234 0.76 GBA1 (0.38) LOXEPAS1GBA1PTGS2PTGS1
SCHEMBL13732377 0.75 GCK (0.40) LOXEPAS1PTGS2PTGS1
SCHEMBL17530476 0.73 EPAS1 (0.33) LOXEPAS1GBA1PTGS2PTGS1
SCHEMBL31668233 0.72 LOX (0.35) LOXEPAS1PTGS2PTGS1NR1H2
SCHEMBL27823143 0.70 PTGS2 (0.44) EPAS1PTGS2PTGS1NR1H2NR1H3
SCHEMBL13731126 0.69 LOX (0.33) LOXEPAS1GBA1PTGS2PTGS1
SCHEMBL13731094 0.69 LOX (0.39) LOXEPAS1GBA1PTGS2PTGS1

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-2699543-B1 NOVEL MODULATORS OF CORTICAL DOPAMINERGIC- AND NMDA-RECEPTOR-MEDIATED GLUTAMATERGIC NEUROTRANSMISSION INTEGRATIVE RES LAB SWEDEN AB (SE) 2016-03-02 — — EP claimed
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