SCHEMBL3718281

SCHEMBL3718281

COC(=O)Cn1c(C)c(C(c2cnco2)S(=O)(=O)c2ccccc2)c2cc(F)ccc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HK1 P19367 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTGDR Q13258 3/20 0.38
PTGIR P43119 1/20 0.37
CYP2C9 P11712 1/20 0.37
PER2 O15055 1/20 0.37
CRY1 Q16526 1/20 0.37
CRY2 Q49AN0 1/20 0.37

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
SCHEMBL3792480 0.91 PTGDR2 (0.52) PTGDR2PTGDRPTGIRCYP2C9
SCHEMBL1465979 0.86 PTGDR2 (0.46) PTGDR2ALDH1A1LMNAMAPTHK1
SCHEMBL3718032 0.85 PTGDR2 (0.44) PTGDR2ALDH1A1LMNAMAPTHK1
SCHEMBL1467543 0.85 PTGDR2 (0.47) PTGDR2ALDH1A1LMNAMAPTHK1
SCHEMBL1465686 0.84 ALDH1A1 (0.44) PTGDR2ALDH1A1LMNAMAPTHK1
SCHEMBL3724416 0.84 ALDH1A1 (0.42) PTGDR2ALDH1A1LMNAMAPTHK1
SCHEMBL1466211 0.83 PTGDR2 (0.47) PTGDR2ALDH1A1LMNAMAPTHK1
SCHEMBL1465369 0.82 ALDH1A1 (0.47) PTGDR2ALDH1A1LMNAMAPTHK1
SCHEMBL1465051 0.82 PTGDR2 (0.51) PTGDR2ALDH1A1LMNAMAPTHK1
SCHEMBL3724053 0.81 ALDH1A1 (0.45) PTGDR2ALDH1A1LMNAMAPTHK1

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