SCHEMBL5527770

SCHEMBL5527770

CCCCN(C(=O)/C(C#N)=C/c1cn(CC(=O)O)c2ccccc12)c1ccccc1.CCN(C(=O)/C(C#N)=C/c1cn(CC(=O)O)c2ccccc12)c1ccccc1

nearest known ligand 0.95

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.95
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
GAA P10253 1/20 0.56
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55

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
SCHEMBL5527774 1.00 PTGDR2 (0.95) PTGDR2MEN1KMT2AGAAALDH1A1
SCHEMBL2085880 0.97 PTGDR2 (1.00) PTGDR2MEN1KMT2AGAAALDH1A1
SCHEMBL2085879 0.97 PTGDR2 (1.00) PTGDR2MEN1KMT2AGAAALDH1A1
SCHEMBL2088772 0.94 PTGDR2 (0.82) PTGDR2MEN1KMT2AGAAALDH1A1
SCHEMBL2088768 0.94 PTGDR2 (0.82) PTGDR2MEN1KMT2AGAAALDH1A1
SCHEMBL2086564 0.92 PTGDR2 (0.89) PTGDR2MEN1KMT2AGAAALDH1A1
SCHEMBL2088718 0.89 PTGDR2 (0.83) PTGDR2MEN1KMT2AGAAALDH1A1
SCHEMBL2088715 0.89 PTGDR2 (0.83) PTGDR2MEN1KMT2AGAAALDH1A1
SCHEMBL2087358 0.88 PTGDR2 (0.91) PTGDR2MEN1KMT2AGAAALDH1A1
SCHEMBL2087355 0.88 PTGDR2 (0.91) PTGDR2MEN1KMT2AGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740171-A1 INDOL-1-YL-ACETIC ACID DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2007-01-10 EP claimed
WO-2005094816-A1 INDOL-1-YL-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-10-13 WO claimed
EP-1740171-A1 INDOL-1-YL-ACETIC ACID DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2007-01-10 EP disclosed
WO-2005094816-A1 INDOL-1-YL-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-10-13 WO disclosed