SCHEMBL6579076

SCHEMBL6579076

CCCCCCNc1ccc(C(=O)OC)c(N(C)C(=O)COCc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.41
HDAC11 Q96DB2 1/20 0.41
EGFR P00533 1/20 0.38
PLK1 P53350 3/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
SENP1 Q9P0U3 1/20 0.36
CETP P11597 3/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL8302041 0.91 HDAC11 (0.35) HDAC8HDAC11EGFRPLK1SENP1
SCHEMBL6581131 0.89 KDM4E (0.39) PLK1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL6581152 0.86 PLK1 (0.39) EGFRPLK1CYP3A4MAPK1TDP1
SCHEMBL6579059 0.86 PLK1 (0.39) EGFRPLK1CYP3A4MAPK1TDP1
SCHEMBL6579763 0.86 CA1 (0.44) HDAC8HDAC11EGFRPLK1CA1
SCHEMBL6579793 0.84 CA1 (0.39) EGFRCA1CA2SENP1ALDH1A1
SCHEMBL6579935 0.81 LMNA (0.41) EGFRPLK1ALDH1A1CYP3A4TSHR
SCHEMBL6582112 0.81 LMNA (0.41) EGFRPLK1ALDH1A1CYP3A4TSHR
SCHEMBL6579475 0.81 LMNA (0.41) EGFRPLK1ALDH1A1CYP3A4TSHR
SCHEMBL6579032 0.81 LMNA (0.41) EGFRPLK1ALDH1A1CYP3A4TSHR

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 3 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