SCHEMBL3724420

SCHEMBL3724420

COC(=O)Cn1c(C)c(Cc2coc(S(=O)(=O)c3ccccc3)n2)c2cc(F)ccc21

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 19/20 0.55
PTGIR P43119 1/20 0.51
PTGDR Q13258 1/20 0.51
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HK1 P19367 1/20 0.47
HKDC1 Q2TB90 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL3716458 0.91 PTGDR2 (0.66) PTGDR2PTGIRPTGDR
SCHEMBL1467836 0.85 PTGDR2 (0.55) PTGDR2PTGIRPTGDRALDH1A1LMNA
SCHEMBL3718287 0.83 PTGDR2 (0.55) PTGDR2PTGIRPTGDRALDH1A1LMNA
SCHEMBL3724417 0.82 PTGDR2 (0.61) PTGDR2PTGIRPTGDRALDH1A1LMNA
SCHEMBL3718283 0.82 PTGDR2 (0.60) PTGDR2PTGIRPTGDRALDH1A1LMNA
SCHEMBL1465975 0.81 PTGDR2 (0.82) PTGDR2
SCHEMBL1465691 0.80 PTGDR2 (0.55) PTGDR2PTGIRPTGDRALDH1A1LMNA
SCHEMBL1465689 0.80 PTGDR2 (0.61) PTGDR2PTGIRPTGDRALDH1A1LMNA
SCHEMBL1466212 0.79 PTGDR2 (0.84) PTGDR2PTGIRPTGDRALDH1A1LMNA
SCHEMBL3718033 0.79 PTGDR2 (0.61) PTGDR2PTGIRPTGDRALDH1A1LMNA

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
WO-2010142934-A1 INDOLE DERIVATIVES AS LIGANDS OF CRTH2 RECEPTORS PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-16 WO disclosed