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SCHEMBL8825201

SCHEMBL8825201

NC(=O)CC(c1ccc(O)cc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 13/20 0.71
▸ PDE4A P27815 6/20 0.64
▸ PDE4B Q07343 6/20 0.64
▸ PDE4C Q08493 6/20 0.64
▸ PDE4D Q08499 6/20 0.64
▸ ALDH1A1 P00352 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ POLB P06746 2/20 0.49

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
SCHEMBL6694358 0.89 TNF (0.72) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL29441529 0.89 TNF (0.72) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6693048 0.83 TNF (0.76) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6688763 0.83 TNF (1.00) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6697290 0.82 TNF (1.00) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6694788 0.81 TNF (0.77) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6688327 0.81 TNF (1.00) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6690982 0.79 TNF (0.74) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL29416846 0.79 TNF (1.00) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL5905008 0.79 TNF (1.00) TNFPDE4APDE4BPDE4CPDE4D

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
US-5605914-A INHIBITORS OF TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 1997-02-25 — — US claimed