SCHEMBL29019415

SCHEMBL29019415

COc1cncc(-c2ccc(NC(=O)OCC3CCC(COCC(=O)O)CC3)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 13/20 0.60
▸ PTGDR Q13258 3/20 0.46
▸ CTPS1 P17812 2/20 0.45
▸ MKNK1 Q9BUB5 1/20 0.42
▸ MKNK2 Q9HBH9 1/20 0.42
▸ F11 P03951 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ PTGS2 P35354 1/20 0.40

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
SCHEMBL29019418 0.88 PTGIR (0.62) PTGIRPTGDRF11
SCHEMBL29019387 0.88 PTGIR (0.70) PTGIRPTGDR
SCHEMBL29019409 0.86 PTGIR (0.65) PTGIRPTGDR
SCHEMBL29019388 0.86 PTGIR (0.62) PTGIRPTGDR
SCHEMBL29019395 0.80 PTGIR (0.67) PTGIRPTGDR
SCHEMBL23851986 0.79 PTGIR (0.73) PTGIRPTGDR
SCHEMBL29019412 0.79 PTGIR (0.73) PTGIRPTGDR
SCHEMBL29019410 0.79 PTGIR (0.73) PTGIRPTGDR
SCHEMBL23853931 0.79 PTGIR (0.73) PTGIRPTGDR
SCHEMBL29019375 0.79 PTGIR (0.69) PTGIRPTGDR

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
CN-110003123-B Modulators of the PGI2 receptor for the treatment of prostacyclin (PGI 2) receptor related disorders 艾尼纳制药公司 2023-06-23 — — CN disclosed
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