SCHEMBL6581705

SCHEMBL6581705

CCOC(=O)c1cc(NC/C=C(\C)CCC=C(C)C)ccc1N(C)C(=O)COC

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
TRPV1 Q8NER1 5/20 0.38
RAB9A P51151 1/20 0.36
EGFR P00533 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL6581713 1.00 KMT2A (0.40) KMT2ATRPV1RAB9AEGFRALDH1A1
SCHEMBL6582048 0.93 KMT2A (0.38) KMT2ATRPV1RAB9A
SCHEMBL6582042 0.93 KMT2A (0.38) KMT2ATRPV1RAB9A
SCHEMBL6582061 0.84 TRPV1 (0.39) TRPV1
SCHEMBL6582066 0.84 TRPV1 (0.39) TRPV1
SCHEMBL6576790 0.77 TRPV1 (0.42) TRPV1
SCHEMBL6576794 0.77 TRPV1 (0.42) TRPV1
SCHEMBL7980769 0.76 EGFR (0.46) KMT2ARAB9AEGFRALDH1A1
SCHEMBL6577207 0.76 KMT2A (0.47) KMT2ARAB9AEGFRALDH1A1
SCHEMBL6578828 0.75 KMT2A (0.45) KMT2ARAB9AEGFRALDH1A1

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