SCHEMBL7852449

SCHEMBL7852449

COc1nccc(CCC(=O)O)c1NC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ POLB P06746 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ FFAR1 O14842 4/20 0.39
▸ SLC13A5 Q86YT5 1/20 0.39
▸ MTNR1A P48039 1/20 0.38
▸ FFAR4 Q5NUL3 3/20 0.36
▸ SYK P43405 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ ATM Q13315 1/20 0.35

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
SCHEMBL7852926 0.86 GAA (0.38) L3MBTL1POLBPTGS2SLC13A5MTNR1A
SCHEMBL8881289 0.85 ATR (0.46) HDAC6L3MBTL1POLBPTGS2FFAR1
SCHEMBL16611199 0.80 ALDH1A1 (0.41) L3MBTL1POLBNPSR1SLC13A5MTNR1A
SCHEMBL7499858 0.75 SLC13A5 (0.63) HDAC6L3MBTL1POLBPTGS2SLC13A5
SCHEMBL7849614 0.75 PDE4D (0.38) L3MBTL1FFAR4
SCHEMBL8496285 0.73 AR (0.39) L3MBTL1POLBSLC13A5MTNR1ALMNA
SCHEMBL7851013 0.73 SLC13A5 (0.39) L3MBTL1POLBPTGS2SLC13A5GAA
SCHEMBL8885211 0.71 ATR (0.48) SLC13A5GAA
SCHEMBL30885486 0.71 ATR (0.48) SLC13A5MTNR1A
SCHEMBL7852447 0.70 PTGS2 (0.35) POLBPTGS2GAA

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-0717743-B1 N-ARYL 1,2,4]TRIAZOLO 1,5-a]PYRIDINE-2-SULFONAMIDE HERBICIDES DOW AGROSCIENCES LLC (US) 2001-11-14 — — EP disclosed
EP-0972774-A2 2-Benzylthio-8-amino(1,2,4)triazolo(1,5-pyridines Dow AgroSciences LLC (US) 2000-01-19 — — EP disclosed
EP-0717743-A1 N-ARYL 1,2,4]TRIAZOLO 1,5-a]PYRIDINE-2-SULFONAMIDE HERBICIDES DOWELANCO (US) 1996-06-26 — — EP disclosed
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