SCHEMBL6579625

SCHEMBL6579625

CCCCOCC(=O)N(C)c1c(C(=O)OCC)cccc1C(=O)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.45
TDP1 Q9NUW8 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 3/20 0.42
CYP3A4 P08684 2/20 0.42
TP53 P04637 1/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPK10 P53779 1/20 0.41
LMNA P02545 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RECQL P46063 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL6582116 0.91 TSHR (0.50) TSHRTDP1L3MBTL1MEN1KMT2A
SCHEMBL6577290 0.87 MAPT (0.43) TSHRTDP1L3MBTL1MAPTMEN1
SCHEMBL27489932 0.87 TSHR (0.59) TSHRTDP1L3MBTL1MAPTMEN1
SCHEMBL6576540 0.81 KMT2A (0.40) TSHRTDP1L3MBTL1MAPTMEN1
SCHEMBL6581322 0.79 TSHR (0.47) TSHRTDP1L3MBTL1MAPTMEN1
SCHEMBL6578832 0.78 TSHR (0.47) TSHRTDP1L3MBTL1MAPTMEN1
SCHEMBL6576760 0.77 TSHR (0.45) TSHRTDP1L3MBTL1MAPTMEN1
SCHEMBL27474981 0.76 TSHR (0.56) TSHRTDP1L3MBTL1MEN1KMT2A
SCHEMBL6578915 0.76 ALDH1A1 (0.43) TSHRL3MBTL1MAPTALDH1A1MAPK1
SCHEMBL1897430 0.76 TSHR (0.78) TSHRTDP1L3MBTL1MAPTALDH1A1

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