SCHEMBL6579712

SCHEMBL6579712

CCCCCCCCNc1ccc(C(=O)OCC)c(N(C)C(=O)COc2ccccc2O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PNLIP P16233 1/20 0.39
PTPN1 P18031 1/20 0.37
NAAA Q02083 1/20 0.36
THRB P10828 1/20 0.36
EGFR P00533 1/20 0.36
MAPT P10636 1/20 0.36
PLK1 P53350 1/20 0.36

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
SCHEMBL6581961 0.88 LMNA (0.44) LMNATSHRSMN1; SMN2HSD17B10CYP1A2
SCHEMBL6581270 0.85 KMT2A (0.42) LMNATSHRSMN1; SMN2HSD17B10CYP1A2
SCHEMBL6581930 0.83 MAPT (0.39) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL6582112 0.83 LMNA (0.41) LMNATSHRSMN1; SMN2HSD17B10CYP1A2
SCHEMBL6579475 0.83 LMNA (0.41) LMNATSHRSMN1; SMN2HSD17B10CYP1A2
SCHEMBL6579032 0.83 LMNA (0.41) LMNATSHRSMN1; SMN2HSD17B10CYP1A2
SCHEMBL6579935 0.83 LMNA (0.41) LMNATSHRSMN1; SMN2HSD17B10CYP1A2
SCHEMBL6582050 0.80 PLK1 (0.37) LMNATSHRSMN1; SMN2HSD17B10CYP1A2
SCHEMBL6579059 0.78 PLK1 (0.39) LMNACYP1A2CYP3A4KDM4ETDP1
SCHEMBL6581152 0.78 PLK1 (0.39) LMNACYP1A2CYP3A4KDM4ETDP1

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