SCHEMBL28983412

SCHEMBL28983412

CCC1CCCc2c1n(Cc1cccc(C(N)=O)c1)c1c(C(=O)OC(=O)c3cccc4c5c([nH]c34)C=CC=CC5)cccc21

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FABP4 P15090 2/20 0.43
▸ TBXA2R P21731 16/20 0.38
▸ PTGDR Q13258 16/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ PDE2A O00408 2/20 0.34

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
SCHEMBL28983413 0.92 FABP4 (0.51) FABP4TBXA2RPTGDRPDE2A
SCHEMBL25935932 0.82 FABP4 (0.54) FABP4TBXA2RPTGDRPDE2A
SCHEMBL24155321 0.79 FABP4 (0.66) FABP4TBXA2RPTGDRPDE2A
SCHEMBL30573130 0.79 FABP4 (0.66) FABP4TBXA2RPTGDRPDE2A
SCHEMBL26247007 0.75 TBXA2R (0.55) FABP4TBXA2RPTGDRPDE2A
SCHEMBL30317268 0.74 FABP4 (0.63) FABP4TBXA2RPTGDR
SCHEMBL30317536 0.74 FABP4 (0.57) FABP4TBXA2RPTGDRPDE2A
SCHEMBL28983470 0.74 FABP4 (0.57) FABP4TBXA2RPTGDRPDE2A
SCHEMBL28983424 0.74 FABP4 (0.35) FABP4
SCHEMBL28983479 0.72 FABP4 (0.62) FABP4TBXA2RPTGDR

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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