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Sugi Predict / Compounds / SCHEMBL8590372

SCHEMBL8590372

SCHEMBL8590372

CC(=O)N=NCc1ccc(OCCCCCOc2ccc(C(=O)N(C(C)C)C(C)C)c(OC(C)(C)C(=O)O)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 16/20 0.40
▸ PPARD Q03181 15/20 0.40
▸ PPARG P37231 11/20 0.40
▸ LTB4R Q15722 1/20 0.37

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
SCHEMBL8594955 0.90 LTB4R (0.35) PPARAPPARGLTB4R
SCHEMBL8594096 0.88 PPARG (0.37) PPARAPPARDPPARGLTB4R
SCHEMBL9189062 0.87 PPARA (0.41) PPARAPPARDPPARG
SCHEMBL8589592 0.85 PPARG (0.38) PPARAPPARDPPARGLTB4R
SCHEMBL8590612 0.85 LTB4R (0.42) PPARDLTB4R
SCHEMBL8995081 0.83 MAOB (0.45) PPARDLTB4R
SCHEMBL8994933 0.83 THRB (0.43) LTB4R
SCHEMBL8590368 0.82 LTB4R (0.44) PPARAPPARDPPARGLTB4R
SCHEMBL8593369 0.82 FFAR1 (0.40) LTB4R
SCHEMBL8592341 0.82 PPARA (0.46) PPARAPPARDPPARGLTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0669909-B1 SUBSTITUTED AMIDINO COMPOUNDS, THEIR MANUFACTURE AND METHODS OF TREATMENT CIBA GEIGY AG (CH) 1998-01-07 — — EP claimed
EP-0669909-A1 SUBSTITUTED AMIDINO COMPOUNDS, THEIR MANUFACTURE AND METHODS OF TREATMENT Novartis AG (CH) 1995-09-06 — — EP claimed
WO-1994011341-A1 SUBSTITUTED AMIDINO COMPOUNDS, THEIR MANUFACTURE AND METHODS OF TREATMENT CIBA-GEIGY AG (CH) 1994-05-26 — — WO claimed