SCHEMBL29019402

SCHEMBL29019402

Cc1ccc(-c2ccc(NC(=O)OCC3CCC(COCC(=O)O)CC3)cc2)cc1F

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 16/20 0.64
▸ MGLL Q99685 2/20 0.48
▸ PTGDR Q13258 4/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ PTGER4 P35408 1/20 0.42
▸ PTGER3 P43115 1/20 0.42
▸ PTGER2 P43116 1/20 0.42

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
SCHEMBL29019390 0.91 PTGIR (0.67) PTGIRMGLLPTGDRPTGER4PTGER3
SCHEMBL29019382 0.90 PTGIR (0.56) PTGIRMGLLPTGDRL3MBTL1
SCHEMBL29019404 0.88 PTGIR (0.64) PTGIRMGLLPTGDR
SCHEMBL29019375 0.87 PTGIR (0.69) PTGIRMGLLPTGDRPTGER4PTGER3
SCHEMBL23851382 0.87 PTGIR (0.68) PTGIRMGLLPTGDRPTGER4PTGER3
SCHEMBL29019408 0.87 PTGIR (0.68) PTGIRMGLLPTGDRPTGER4PTGER3
SCHEMBL29019412 0.86 PTGIR (0.73) PTGIRMGLLPTGDRHDAC3HDAC1
SCHEMBL29019417 0.86 PTGIR (0.64) PTGIRMGLLPTGDR
SCHEMBL6527183 0.84 CHRM3 (0.58) PTGIR
SCHEMBL29019411 0.83 PTGIR (0.62) PTGIRMGLLPTGDRPTGER4PTGER3

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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