Sugi Predict

Sugi Predict / Compounds / Fenobucarb

Fenobucarb

Fenobucarb

SCHEMBL6446466

CCC(C)Oc1ccccc1OC(=O)NC.CCC(C)c1ccccc1OC(=O)NC.CNC(=O)Oc1c(C(C)(C)C)cccc1C(C)(C)C

nearest known ligand 0.64

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ ACHE P22303 1/20 0.47
▸ PGR P06401 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HSD17B10 Q99714 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
Fenobucarb SCHEMBL73674 0.80 ALDH1A1 (0.58) ALDH1A1ACHEPGRGAAPTGS1
SCHEMBL5569807 0.80 ALDH1A1 (0.71) ALDH1A1ACHEPGRGAAPTGS1
Fenobucarb SCHEMBL29368514 0.80 ALDH1A1 (0.58) ALDH1A1ACHEPGRGAAPTGS1
Fenobucarb SCHEMBL6740176 0.80 ALDH1A1 (0.58) ALDH1A1ACHEPGRGAAPTGS1
SCHEMBL6024232 0.79 ALDH1A1 (0.48) ALDH1A1ACHEPGRGAAPTGS1
SCHEMBL6023367 0.74 TSHR (0.44) ALDH1A1ACHE
SCHEMBL5566828 0.73 ALDH1A1 (0.45) ALDH1A1PGRGAAPTGS1MAPK1
SCHEMBL6023331 0.72 ALDH1A1 (0.49) ALDH1A1ACHEPGRGAAPTGS1
SCHEMBL6022886 0.70 NLRP3 (0.42) ALDH1A1PGRGAAPTGS1MAPK1
SCHEMBL77829 0.69 ALDH1A1 (0.56) ALDH1A1ACHEPGRGAAPTGS1

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
EP-1504664-A1 Organic compounds Novartis AG (CH) 2005-02-09 — — EP claimed
EP-1504664-A1 Organic compounds Novartis AG (CH) 2005-02-09 — — EP disclosed