SCHEMBL8538489

SCHEMBL8538489

CON=C(CCCCCCc1ncc[nH]1)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.46
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
CA2 P00918 1/20 0.38
GAA P10253 4/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NAMPT P43490 2/20 0.37
PTGS2 P35354 1/20 0.34
DRD4 P21917 2/20 0.33
GSR P00390 1/20 0.33
DRD2 P14416 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL8540333 0.89 TBXAS1 (0.50) TBXAS1PPARGPPARAGAAALDH1A1
SCHEMBL8536914 0.82 TBXAS1 (0.56) TBXAS1NAMPTPTGS2GSR
SCHEMBL8538925 0.76 TBXAS1 (0.46) TBXAS1CA2PTGS2
SCHEMBL8538471 0.75 SMN1; SMN2 (0.50) TBXAS1GAAALDH1A1HTTSMN1; SMN2
SCHEMBL8536865 0.73 TBXAS1 (0.46) TBXAS1NAMPT
SCHEMBL9266643 0.72 TBXAS1 (0.46) TBXAS1ALDH1A1SMN1; SMN2
SCHEMBL8542267 0.71 TBXAS1 (0.49) TBXAS1GAAALDH1A1HTTSMN1; SMN2
SCHEMBL8537670 0.69 TBXAS1 (0.57) TBXAS1GAAALDH1A1HTTSMN1; SMN2
SCHEMBL8538995 0.69 TBXAS1 (0.57) TBXAS1GAAALDH1A1HTTSMN1; SMN2
SCHEMBL1093234 0.69 TBXAS1 (0.68) TBXAS1ALDH1A1SMN1; SMN2NAMPT

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