SCHEMBL6577077

SCHEMBL6577077

C=CCCCCOCC(=O)N(CC=C(C)C)c1cc(NC(=O)c2ccccc2)ccc1C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 4/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.38
ALDH1A1 P00352 5/20 0.37
MAPT P10636 4/20 0.37
MAPK1 P28482 3/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 3/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
PPARA Q07869 1/20 0.36
GPR35 Q9HC97 1/20 0.36
POLB P06746 2/20 0.36
PKM P14618 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
ELANE P08246 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
SCHEMBL6582092 0.86 MEN1 (0.39) SMN1; SMN2RAB9ANPC1GAAHTT
SCHEMBL6582084 0.86 MEN1 (0.39) SMN1; SMN2RAB9ANPC1GAAHTT
SCHEMBL6579010 0.83 MAOA (0.33) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL6579337 0.80 SMN1; SMN2 (0.43) SMN1; SMN2GAAALDH1A1MAPTTP53
SCHEMBL6579680 0.78 HPGD (0.39) SMN1; SMN2RAB9ANPC1HTTALDH1A1
SCHEMBL6579068 0.78 HPGD (0.38) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL6577324 0.77 KMT2A (0.39) SMN1; SMN2NPC1HTTALDH1A1MAPT
SCHEMBL6579402 0.77 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1GAAHTT
SCHEMBL6579599 0.77 EGFR (0.31) ALDH1A1LMNAKMT2AHPGDKDM4E
SCHEMBL6579853 0.74 TDP1 (0.38) SMN1; SMN2ALDH1A1MAPTMAPK1LMNA

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