SCHEMBL3721645

SCHEMBL3721645

COC(=O)Cn1c(C)c(Cc2scc(C)c2S(=O)(=O)c2ccccc2)c2cc(F)ccc21

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 19/20 0.56
PTGDR Q13258 2/20 0.45
PTGIR P43119 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HK1 P19367 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL3719021 0.92 PTGDR2 (0.67) PTGDR2PTGDRPTGIR
SCHEMBL3716596 0.88 PTGDR2 (0.49) PTGDR2PTGDRPTGIRALDH1A1LMNA
SCHEMBL3724054 0.86 PTGDR2 (0.55) PTGDR2PTGDRPTGIRALDH1A1LMNA
SCHEMBL1465370 0.86 PTGDR2 (0.61) PTGDR2PTGDRPTGIRALDH1A1LMNA
SCHEMBL1465689 0.86 PTGDR2 (0.61) PTGDR2PTGDRPTGIRALDH1A1LMNA
SCHEMBL1466783 0.85 PTGDR2 (0.53) PTGDR2PTGDRPTGIRALDH1A1LMNA
SCHEMBL1465473 0.84 PTGDR2 (0.61) PTGDR2PTGDRPTGIRALDH1A1LMNA
SCHEMBL1467193 0.83 PTGDR2 (0.59) PTGDR2PTGDRPTGIRALDH1A1LMNA
SCHEMBL1467836 0.83 PTGDR2 (0.55) PTGDR2PTGDRPTGIRALDH1A1LMNA
SCHEMBL1466219 0.83 PTGDR2 (0.61) PTGDR2PTGDRPTGIRALDH1A1LMNA

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