SCHEMBL6579689

SCHEMBL6579689

C=CCCCCNc1ccc(C(=O)OC)c(N(CC)C(=O)COCC)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 2/20 0.32
TSHR P16473 1/20 0.32
EGFR P00533 2/20 0.31
ABCB11 O95342 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADRA2B P18089 1/20 0.31
OPRD1 P41143 1/20 0.31
SCN5A Q14524 1/20 0.31
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL6581017 0.93 TDP1 (0.33) ALDH1A1KDM4EMAPTHSD17B10TDP1
SCHEMBL6581870 0.87 LMNA (0.33) ALDH1A1KDM4ETDP1HPGDEGFR
SCHEMBL6579279 0.86 LMNA (0.35) ALDH1A1KDM4ETDP1HPGDTSHR
SCHEMBL6577376 0.81 LMNA (0.33) ALDH1A1KDM4EMAPTTDP1HPGD
SCHEMBL6581222 0.80 LMNA (0.36) ALDH1A1KDM4ETDP1HPGDTSHR
SCHEMBL6581167 0.78 LMNA (0.35) ALDH1A1KDM4EMAPTHSD17B10TDP1
SCHEMBL6579599 0.78 EGFR (0.31) ALDH1A1KDM4ETDP1HPGDEGFR
SCHEMBL6579046 0.78 LMNA (0.35) ALDH1A1KDM4EMAPTHSD17B10TDP1
SCHEMBL6581131 0.76 KDM4E (0.39) ALDH1A1KDM4EMAPTHSD17B10TDP1
SCHEMBL6579571 0.76 TDP1 (0.50) ALDH1A1KDM4EMAPTHSD17B10TDP1

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