SCHEMBL6581909

SCHEMBL6581909

CCCCCCc1ccc(C(=O)OCC)c(N(C)C(=O)COC)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.47
PPARG P37231 4/20 0.47
KAT8 Q9H7Z6 2/20 0.41
RARB P10826 3/20 0.41
PLK1 P53350 1/20 0.40
PLA2G4A P47712 1/20 0.39
RARA P10276 1/20 0.39
RARG P13631 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38

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
SCHEMBL6581974 1.00 PPARA (0.47) PPARAPPARGKAT8RARBPLK1
SCHEMBL6581270 0.81 KMT2A (0.42) PLK1
SCHEMBL6578998 0.80 KMT2A (0.51)
SCHEMBL28948496 0.77 CYP4F2 (0.43) PPARAPPARGKAT8RARBCYP4F2
SCHEMBL6576483 0.76 THRA (0.47) THRATHRB
SCHEMBL6579842 0.76 MEN1 (0.45) PLK1THRATHRB
SCHEMBL6579115 0.76 THRA (0.42) THRATHRB
SCHEMBL6582006 0.75 CA12 (0.48)
SCHEMBL26101971 0.75 PPARA (0.67) PPARAPPARGKAT8
SCHEMBL6578828 0.75 KMT2A (0.45) PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927718-B1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK & CHEMICALS (JP) 2004-02-25 EP disclosed
US-6271416-B1 O-(HYDROCARBONOXYACETAMIDO)BENZOIC ACID DERIVATIVES AS INTERMEDIATES DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-08-07 US disclosed
US-6136822-A ETHER, HYDROXY QUINOLINONE COMPOUNDS DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-10-24 US disclosed
EP-0927718-A1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-07-07 EP disclosed