SCHEMBL30317317

SCHEMBL30317317

CCC1CCc2c1n(Cc1cccc(C#N)c1)c1c(C(=O)O)cccc21

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FABP4 P15090 13/20 0.46
▸ FABP3 P05413 2/20 0.46
▸ PTGDR Q13258 6/20 0.43
▸ TBXA2R P21731 5/20 0.43
▸ PTGER3 P43115 1/20 0.41
▸ PTGER2 P43116 1/20 0.41
▸ PTGIR P43119 1/20 0.41

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
SCHEMBL30317374 0.95 TBXA2R (0.50) FABP4FABP3PTGDRTBXA2R
SCHEMBL28983434 0.95 TBXA2R (0.50) FABP4FABP3PTGDRTBXA2R
SCHEMBL30317313 0.93 FABP4 (0.45) FABP4FABP3PTGDRTBXA2RPTGER3
SCHEMBL30317349 0.91 FABP4 (0.43) FABP4FABP3PTGDRTBXA2R
SCHEMBL28983431 0.86 TBXA2R (0.47) FABP4FABP3PTGDRTBXA2R
SCHEMBL30317342 0.85 FABP4 (0.43) FABP4FABP3PTGDRTBXA2R
SCHEMBL30398050 0.85 FABP4 (0.48) FABP4FABP3PTGDRTBXA2R
SCHEMBL24155323 0.85 TBXA2R (0.46) FABP4FABP3PTGDRTBXA2R
SCHEMBL30317268 0.84 FABP4 (0.63) FABP4FABP3PTGDRTBXA2RPTGER3
SCHEMBL28983470 0.82 FABP4 (0.57) FABP4FABP3PTGDRTBXA2R

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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