SCHEMBL5887367

SCHEMBL5887367

c1ccc(C2CCCCC2)c(Sc2ccccc2C2CCCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.41
PTGS2 P35354 1/20 0.40
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
CETP P11597 1/20 0.36
CEL P19835 1/20 0.35
HTR2C P28335 2/20 0.34
CYP11B2 P19099 1/20 0.34
NOS1 P29475 1/20 0.34
PTPRC P08575 1/20 0.34
PTPRF P10586 1/20 0.34
PTPN1 P18031 1/20 0.34
CDC25B P30305 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
PRCP P42785 1/20 0.33
CYP19A1 P11511 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
SCHEMBL1093485 0.89 HTR2C (0.38) HTR2C
SCHEMBL944629 0.87 CETP (0.43) PTGDR2PTGS2BCHEACHECETP
SCHEMBL944717 0.84 CETP (0.41) PTGDR2PTGS2BCHEACHECETP
SCHEMBL14627410 0.83 PTGDR2 (0.39) PTGDR2PTGS2BCHEACHECETP
SCHEMBL19962179 0.82 CYP3A4 (0.42) PTGDR2PTGS2HTR2C
SCHEMBL42781 0.81 PTGDR2 (0.48) PTGDR2PTGS2BCHEACHECEL
SCHEMBL11292126 0.80 CEL (0.42) PTGDR2PTGS2CEL
SCHEMBL9839711 0.80 PTPN5 (0.40) PTGDR2PTGS2CETPCEL
SCHEMBL779938 0.78 CHRNB4 (0.46) PTGDR2PTGS2BCHEACHECEL
Hydrogen Peroxide SCHEMBL3679819 0.77 PTGDR2 (0.55) PTGDR2PTGS2BCHEACHECEL

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7112697-B1 Methods for formation of aryl-sulfur and aryl-selenium compounds using copper(I) catalysts UNIVERSITY OF MASSACHUSETTS (US) 2006-09-26 US disclosed
EP-0005379-B2 PHOTOSENSITIVE COMPOSITIONS CONTAINING CARBONYLIC HALIDES AS ACTIVATORS Dynachem Corporation (US) 1986-06-04 EP disclosed
US-4552830-A UNSATURATED COMPOUND, FREE RADICAL-PRODUCING PHOTOINITIATOR FLUORA COLOR FORMER, PROTON DONOR DYNACHEM CORPORATION (US) 1985-11-12 US disclosed
US-4343885-A PHOTORESISTS DYNACHEM CORPORATION (US) 1982-08-10 US disclosed
EP-0005380-B1 PHOTOTROPIC PHOTOSENSITIVE COMPOSITIONS CONTAINING A FLUORAN COLORFORMER Dynachem Corporation (US) 1982-01-06 EP disclosed
EP-0005379-B1 PHOTOSENSITIVE COMPOSITIONS CONTAINING CARBONYLIC HALIDES AS ACTIVATORS Dynachem Corporation (US) 1981-12-23 EP disclosed