SCHEMBL8536865

SCHEMBL8536865

CS(=O)(=O)c1ccc(C(O)CCCCCCc2ncc[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.46
NAMPT P43490 2/20 0.36
HRH4 Q9H3N8 2/20 0.36
CACNA1F O60840 1/20 0.34
CHRM2 P08172 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
DRD3 P35462 1/20 0.34
CACNA1D Q01668 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34
TERT O14746 1/20 0.34
GRM4 Q14833 1/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL8538862 0.80 TBXAS1 (0.45) TBXAS1NAMPTTERT
SCHEMBL8537671 0.80 TBXAS1 (0.45) TBXAS1NAMPTTERT
SCHEMBL8535683 0.80 TBXAS1 (0.45) TBXAS1HRH4SLC6A4TERTTAAR1
SCHEMBL8538925 0.79 TBXAS1 (0.46) TBXAS1TERTTSHRMEN1CYP3A4
SCHEMBL8536914 0.78 TBXAS1 (0.56) TBXAS1NAMPT
SCHEMBL8540333 0.76 TBXAS1 (0.50) TBXAS1NAMPTTAAR1
SCHEMBL8538489 0.73 TBXAS1 (0.46) TBXAS1NAMPT
SCHEMBL4129898 0.71 TBXAS1 (0.54) TBXAS1HRH4TERTTAAR1
SCHEMBL27232031 0.71 TBXAS1 (0.54) TBXAS1HRH4TERTTAAR1
SCHEMBL503743 0.70 TBXAS1 (0.69) TBXAS1ADRA2BADRA2CTERTTAAR1

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
US-5750532-A TETRAHYDROPYRIMIDINE-2,4-DIONE DERIVATIVES, VIRICIDES, ANTIINFLAMMATORY AGENTS, PAF INHIBITORS SCHERING CORPORATION (US) 1998-05-12 US disclosed