SCHEMBL28983449

SCHEMBL28983449

CCCCCOC1CCCc2c1n(Cc1cccc(C#N)c1)c1c(C(=O)O)cccc21

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FABP4 P15090 17/20 0.46
▸ FABP3 P05413 2/20 0.44
▸ TBXA2R P21731 2/20 0.41
▸ PTGDR Q13258 2/20 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
SCHEMBL30317273 1.00 FABP4 (0.46) FABP4FABP3TBXA2RPTGDR
SCHEMBL30317427 0.86 FABP4 (0.59) FABP4FABP3TBXA2RPTGDR
SCHEMBL28983432 0.86 FABP4 (0.59) FABP4FABP3TBXA2RPTGDR
SCHEMBL28983431 0.86 TBXA2R (0.47) FABP4FABP3TBXA2RPTGDR
SCHEMBL30317374 0.84 TBXA2R (0.50) FABP4FABP3TBXA2RPTGDR
SCHEMBL28983434 0.84 TBXA2R (0.50) FABP4FABP3TBXA2RPTGDR
SCHEMBL30398050 0.84 FABP4 (0.48) FABP4FABP3TBXA2RPTGDR
SCHEMBL30317349 0.83 FABP4 (0.43) FABP4FABP3TBXA2RPTGDR
SCHEMBL30317342 0.82 FABP4 (0.43) FABP4FABP3TBXA2RPTGDR
SCHEMBL30317317 0.81 FABP4 (0.46) FABP4FABP3TBXA2RPTGDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115803085-A Novel cell metabolism regulating compounds and uses 新月生物科学 2023-03-14 — — CN claimed
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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