Sugi Predict

Sugi Predict / Compounds / SCHEMBL8399029

SCHEMBL8399029

SCHEMBL8399029

CCCCCc1ccccc1OCc1ccccc1/C(=N\OC)C(=O)NCC

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 8/20 0.45
▸ THRA P10827 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ PPARD Q03181 1/20 0.40
▸ PPARA Q07869 1/20 0.39

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
SCHEMBL8399035 1.00 HIF1A (0.45) HIF1ATHRATHRBPPARDPPARA
SCHEMBL8399070 0.97 HIF1A (0.46) HIF1APPARD
SCHEMBL8399073 0.97 HIF1A (0.46) HIF1APPARD
SCHEMBL8396228 0.94 HIF1A (0.48) HIF1APPARD
SCHEMBL8396240 0.94 HIF1A (0.48) HIF1APPARD
SCHEMBL8397750 0.91 HIF1A (0.46) HIF1ATHRATHRBPPARDPPARA
SCHEMBL8397737 0.91 HIF1A (0.46) HIF1ATHRATHRBPPARDPPARA
SCHEMBL8398720 0.89 HIF1A (0.50) HIF1A
SCHEMBL8398729 0.89 HIF1A (0.50) HIF1A
SCHEMBL8400214 0.87 HIF1A (0.47) HIF1ATHRATHRBPPARD

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-0644183-B1 Process of producing N-alkylacetamides SHIONOGI & CO (JP) 1999-06-02 — — EP disclosed
US-5498792-A Process of producing N-alkylacetamides SHIONOGI & CO., LTD. (JP) 1996-03-12 — — US disclosed
EP-0644183-A2 Process of producing N-alkylacetamides SHIONOGI & CO., LTD. (JP) 1995-03-22 — — EP disclosed