SCHEMBL7777115

SCHEMBL7777115

CCONC(=O)C(CC(=O)O)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.61
▸ CPA1 P15085 2/20 0.58
▸ CPB1 P15086 1/20 0.58
▸ CPA3 P15088 1/20 0.58
▸ CPB2 Q96IY4 1/20 0.58
▸ MMEL1 Q495T6 1/20 0.50
▸ MME P08473 1/20 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
SCHEMBL12517132 0.81 LTA4H (0.64) LTA4HCPA1CPB1CPA3CPB2
SCHEMBL7280073 0.81 CPA1 (0.57) LTA4HCPA1CPB1CPA3CPB2
SCHEMBL7434721 0.81 CPA1 (0.57) LTA4HCPA1CPB1CPA3CPB2
SCHEMBL9226958 0.80 CPA3 (0.64) LTA4HCPA1CPB1CPA3CPB2
SCHEMBL11248580 0.79 CPA3 (0.72) LTA4HCPA1CPB1CPA3CPB2
SCHEMBL2398335 0.78 CPA1 (0.66) LTA4HCPA1CPB1CPA3CPB2
SCHEMBL901408 0.78 CPA1 (0.66) LTA4HCPA1CPB1CPA3CPB2
SCHEMBL1914987 0.78 CPA1 (0.66) LTA4HCPA1CPB1CPA3CPB2
SCHEMBL7280825 0.77 SLC1A3 (0.54) —
SCHEMBL3842528 0.76 CPA1 (0.64) LTA4HCPA1CPB1CPA3CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1129084-A2 PPAR GAMMA LIGANDS GLAXO GROUP LIMITED (GB) 2001-09-05 — — EP claimed
WO-2000027832-A2 THIAZOLE DERIVATIVES AS PPAR GAMMA LIGANDS GLAXO GROUP LIMITED (GB) 2000-05-18 — — WO claimed
EP-1129084-A2 PPAR GAMMA LIGANDS GLAXO GROUP LIMITED (GB) 2001-09-05 — — EP disclosed
WO-2000027832-A2 THIAZOLE DERIVATIVES AS PPAR GAMMA LIGANDS GLAXO GROUP LIMITED (GB) 2000-05-18 — — WO disclosed
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