SCHEMBL6579240

SCHEMBL6579240

CCCCCCCCN(C(=O)COCc1ccc(O)cc1)c1cc(N)ccc1C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
ALDH1A1 P00352 6/20 0.36
TP53 P04637 2/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
MAOA P21397 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2C P28335 1/20 0.35
CHRNA4 P43681 1/20 0.35
HTR3A P46098 1/20 0.35
KCNH2 Q12809 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
SCHEMBL6579803 0.92 ALDH1A1 (0.40) ALDH1A1TP53MAPTNPC1RAB9A
SCHEMBL6577093 0.85 SMN1; SMN2 (0.42) CA12CA1CA2CA7CA9
SCHEMBL6581865 0.83 ALDH1A1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL6581436 0.83 LMNA (0.44) CA12CA1CA2CA7CA9
SCHEMBL6579572 0.83 ALDH1A1 (0.43) ALDH1A1TP53CYP1A2CYP2D6SCN1A
SCHEMBL6579039 0.83 ALDH1A1 (0.43) ALDH1A1TP53CYP1A2CYP2D6SCN1A
SCHEMBL6579028 0.83 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL6578826 0.78 CYP1A2 (0.39) CA12CA1CA2CA7CA9
SCHEMBL6582192 0.78 SMN1; SMN2 (0.42) ALDH1A1TP53MAPTRAB9AMEN1
SCHEMBL6576926 0.78 CYP1A2 (0.38) CA12CA1CA2CA7CA9

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