SCHEMBL6579860

SCHEMBL6579860

CCCCCCN(C(=O)COCc1ccccc1)c1cc(NCC=C(C)CCC=C(C)C)ccc1C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.36
ICMT O60725 2/20 0.34
CSNK1D P48730 1/20 0.33
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CCKBR P32239 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL6579851 1.00 TRPV1 (0.36) TRPV1ICMTCSNK1DALDH1A1RAB9A
SCHEMBL6577136 0.94 EGFR (0.32) TRPV1
SCHEMBL6577141 0.94 EGFR (0.32) TRPV1
SCHEMBL6582338 0.83 MEN1 (0.35) TRPV1LMNATP53HSD17B10
SCHEMBL6582345 0.83 MEN1 (0.35) TRPV1LMNATP53HSD17B10
SCHEMBL27492420 0.82 ALDH1A1 (0.35) TRPV1ICMTALDH1A1LMNAKDM4E
SCHEMBL6579803 0.77 ALDH1A1 (0.40) CSNK1DALDH1A1RAB9ALMNATP53
SCHEMBL6582265 0.77 TRPV1 (0.35) TRPV1
SCHEMBL6582259 0.77 TRPV1 (0.35) TRPV1
SCHEMBL6582084 0.77 MEN1 (0.39) ALDH1A1RAB9ALMNATP53

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