SCHEMBL6582006

SCHEMBL6582006

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
ATM Q13315 1/20 0.40
TP53 P04637 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
ESR1 P03372 1/20 0.39
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL6579842 0.90 MEN1 (0.45) CA12CA1CA2CA7CA9
SCHEMBL6582955 0.88 ALDH1A1 (0.44) TSHRLMNAALDH1A1POLBMAPT
SCHEMBL6582373 0.88 ALDH1A1 (0.41) TSHRLMNAALDH1A1POLBMAPT
SCHEMBL6579314 0.88 ALDH1A1 (0.44) TSHRLMNAALDH1A1POLBMAPT
SCHEMBL6578896 0.88 ALDH1A1 (0.41) TSHRLMNAALDH1A1POLBMAPT
SCHEMBL6579115 0.87 THRA (0.42) CA12CA2CA7CA9CA14
SCHEMBL6579888 0.84 HPGD (0.42) TSHRLMNAALDH1A1POLBMAPT
SCHEMBL6579559 0.84 HPGD (0.42) TSHRLMNAALDH1A1POLBMAPT
SCHEMBL6583371 0.84 SMN1; SMN2 (0.47) ALDH1A1MAPTTP53ESR1MEN1
SCHEMBL6579475 0.84 LMNA (0.41) TSHRLMNAALDH1A1POLBTP53

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