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SCHEMBL8908003

SCHEMBL8908003

O=C(O)CCc1cccc(-c2c3nc(c(-c4cccc(CCC(=O)O)c4)c4ccc([nH]4)c(-c4cccc(CCC(=O)O)c4)c4nc(c(-c5cccc(CCC(=O)O)c5)c5ccc2[nH]5)C=C4)C=C3)c1.[Mn]

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 12/20 0.51
▸ PPARG P37231 2/20 0.50
▸ TOP1 P11387 1/20 0.49
▸ CYCS P99999 3/20 0.48
▸ PTPRB P23467 1/20 0.44
▸ CDC25A P30304 1/20 0.44
▸ CDC25B P30305 1/20 0.44
▸ PTEN P60484 1/20 0.44
▸ PTPMT1 Q8WUK0 1/20 0.44

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
SCHEMBL8909228 0.87 GRIN2D (0.53) PPARGTOP1CYCS
SCHEMBL8907994 0.86 TOP1 (0.45) FFAR1PPARGTOP1CYCS
Hydrochloric Acid SCHEMBL8865123 0.85 TOP1 (0.44) FFAR1PPARGTOP1CYCS
SCHEMBL8865842 0.82 PDE3B (0.48) FFAR1TOP1CYCS
SCHEMBL1640460 0.82 TERT (0.50) TOP1CYCS
SCHEMBL8908306 0.80 TOP1 (0.48) PPARGTOP1CYCS
SCHEMBL1639281 0.79 TOP1 (0.50) TOP1CYCS
Hydrochloric Acid SCHEMBL8865260 0.79 TOP1 (0.47) PPARGTOP1CYCS
SCHEMBL8907966 0.78 TOP1 (0.49) TOP1CYCS
SCHEMBL3095138 0.78 TOP1 (0.49) FFAR1PPARGTOP1CYCS

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
EP-0684948-B1 MESO-TETRAPHENYL PORPHYRIN COMPLEX COMPOUNDS, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICALS CONTAINING THE SAME DIAGNOSTIKFORSCHUNG INST (DE) 1997-10-22 — — EP claimed
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