SCHEMBL8881289

SCHEMBL8881289

COc1nccc(CCC(=O)O)c1NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.46
▸ CYP17A1 P05093 2/20 0.39
▸ SLC13A5 Q86YT5 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ PTGS2 P35354 1/20 0.35
▸ FFAR1 O14842 2/20 0.35
▸ SREBF2 Q12772 1/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ ITGB1 P05556 1/20 0.34
▸ ITGA4 P13612 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL8885211 0.88 ATR (0.48) ATRCYP17A1SLC13A5SREBF2MEN1
SCHEMBL30885486 0.88 ATR (0.48) ATRCYP17A1SLC13A5SREBF2MTNR1A
SCHEMBL7852449 0.85 HDAC6 (0.42) SLC13A5HDAC6L3MBTL1POLBPTGS2
SCHEMBL31309952 0.82 ATR (0.46) ATRCYP17A1SLC13A5SREBF2MTNR1A
SCHEMBL2004926 0.79 ATR (0.57) ATRCYP17A1POLBMEN1NPC1
SCHEMBL9010321 0.78 ATR (0.53) ATRCYP17A1
SCHEMBL7841703 0.77 ATR (0.52) ATRCYP17A1MEN1NPC1GAA
SCHEMBL7848770 0.77 ATR (0.44) ATRCYP17A1SLC13A5L3MBTL1SREBF2
SCHEMBL26656448 0.76 ATR (0.72) ATRCYP17A1POLBMEN1NPC1
SCHEMBL8609349 0.75 METAP1 (0.42) ATRCYP17A1SLC13A5L3MBTL1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5700940-A FOR PRE- OR POSTEMERGENCE SPRAYING OF PLANTS OR SOILS DOWELANCO (US) 1997-12-23 — — US disclosed
US-5614469-A N-pyridinyl[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide herbicides DOWELANCO (US) 1997-03-25 — — US disclosed
US-5571775-A EFFECTIVE ON A BROAD SPECTRUM OF VEGETATION AT LOW APPLICATION RATES DOWELANCO (US) 1996-11-05 — — US disclosed
EP-0717745-A1 N-PYRIDINYL 1,2,4]TRIAZOLO 1,5-C]PYRIMIDINE-2-SULFONAMIDE HERBICIDES DOWELANCO (US) 1996-06-26 — — EP disclosed
WO-1996001826-A1 N-ARYL[1,2,4]TRIAZOLO[1,5-a]PYRIDINE-2-SULFONAMIDE HERBICIDES DOWELANCO (US) 1996-01-25 — — WO disclosed
WO-1996001828-A1 N-PYRIDINYL[1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE-2-SULFONAMIDE HERBICIDES DOWELANCO (US) 1996-01-25 — — WO disclosed
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