SCHEMBL28983431

SCHEMBL28983431

CCCCC1CCCc2c1n(Cc1cccc(C#N)c1)c1c(C(=O)O)cccc21

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 7/20 0.47
▸ PTGDR Q13258 7/20 0.47
▸ FABP4 P15090 11/20 0.46
▸ FABP3 P05413 2/20 0.46
▸ PDE2A O00408 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
SCHEMBL30398050 0.97 FABP4 (0.48) TBXA2RPTGDRFABP4FABP3PDE2A
SCHEMBL30317342 0.96 FABP4 (0.43) TBXA2RPTGDRFABP4FABP3PDE2A
SCHEMBL30317349 0.95 FABP4 (0.43) TBXA2RPTGDRFABP4FABP3
SCHEMBL28983434 0.91 TBXA2R (0.50) TBXA2RPTGDRFABP4FABP3PDE2A
SCHEMBL30317374 0.91 TBXA2R (0.50) TBXA2RPTGDRFABP4FABP3PDE2A
SCHEMBL30317313 0.90 FABP4 (0.45) TBXA2RPTGDRFABP4FABP3
SCHEMBL28983419 0.87 FABP4 (0.46) FABP4FABP3
SCHEMBL30317273 0.86 FABP4 (0.46) TBXA2RPTGDRFABP4FABP3
SCHEMBL30317317 0.86 FABP4 (0.46) TBXA2RPTGDRFABP4FABP3
SCHEMBL26248234 0.86 TBXA2R (0.45) TBXA2RPTGDRFABP4FABP3PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4175647-A1 ANTIVIRAL USE OF FABP4 MODULATING COMPOUNDS Crescenta Biosciences (US) 2023-05-10 — — EP claimed
EP-4171736-A1 NOVEL CELL METABOLISM MODULATING COMPOUNDS AND USES THEREOF Crescenta Biosciences (US) 2023-05-03 — — EP claimed
CN-115803085-A Novel cell metabolism regulating compounds and uses 新月生物科学 2023-03-14 — — CN claimed
EP-4175647-A1 ANTIVIRAL USE OF FABP4 MODULATING COMPOUNDS Crescenta Biosciences (US) 2023-05-10 — — EP disclosed
EP-4171736-A1 NOVEL CELL METABOLISM MODULATING COMPOUNDS AND USES THEREOF Crescenta Biosciences (US) 2023-05-03 — — EP disclosed
CN-115803085-A Novel cell metabolism regulating compounds and uses 新月生物科学 2023-03-14 — — CN disclosed
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