SCHEMBL6576578

SCHEMBL6576578

CCCCCCCCCCOC(=O)c1cccc(N(C)C(=O)COCCCC)c1C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.52
ALDH1A1 P00352 6/20 0.52
LMNA P02545 3/20 0.52
MAPK1 P28482 3/20 0.50
CYP3A4 P08684 2/20 0.50
TP53 P04637 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 2/20 0.47
POLB P06746 1/20 0.47
KDM4A O75164 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP2 P08253 1/20 0.40
STS P08842 5/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 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
SCHEMBL6578832 0.94 TSHR (0.47) TSHRALDH1A1LMNAMAPK1CYP3A4
SCHEMBL27474981 0.86 TSHR (0.56) TSHRALDH1A1LMNAMAPK1CYP3A4
SCHEMBL6577290 0.85 MAPT (0.43) TSHRALDH1A1LMNAMAPK1CYP3A4
SCHEMBL6582116 0.81 TSHR (0.50) TSHRALDH1A1LMNAMAPK1CYP3A4
SCHEMBL6578812 0.81 ESR1 (0.42) TSHRALDH1A1LMNAL3MBTL1TDP1
SCHEMBL28620461 0.79 TSHR (0.70) TSHRALDH1A1LMNAMAPK1CYP3A4
SCHEMBL28620465 0.79 TSHR (0.70) TSHRALDH1A1LMNAMAPK1CYP3A4
SCHEMBL6581322 0.79 TSHR (0.47) TSHRALDH1A1LMNAMAPK1CYP3A4
SCHEMBL27474980 0.79 TSHR (0.49) TSHRALDH1A1LMNAMAPK1CYP3A4
SCHEMBL6579842 0.79 MEN1 (0.45) TSHRALDH1A1LMNAMAPK1CYP3A4

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