SCHEMBL6579455

SCHEMBL6579455

CCCCOCC(=O)N(C)c1cc(N(C)C)ccc1C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
MAPK1 P28482 4/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 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
SCHEMBL6582373 0.95 ALDH1A1 (0.41) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL6578896 0.95 ALDH1A1 (0.41) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL6578770 0.93 MEN1 (0.43) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL6579090 0.86 MAOA (0.38) RAB9AALDH1A1MAPTMAPK1NPC1
SCHEMBL7996804 0.86 CYP1A2 (0.43) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL6581109 0.84 CYP1A2 (0.44) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL6579842 0.84 MEN1 (0.45) MEN1KMT2AALDH1A1MAPK1KDM4E
SCHEMBL6579115 0.83 THRA (0.42) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL6582006 0.83 CA12 (0.48) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL6581702 0.82 HPGD (0.46) MEN1KMT2ARAB9AALDH1A1MAPT

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