SCHEMBL8000769

SCHEMBL8000769

CC=C(CC)Oc1c(OC(C)C)c(=O)n(CCCC)c2cc(N)ccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORA P35398 6/20 0.35
RORC P51449 6/20 0.35
RORB Q92753 6/20 0.35
ALDH1A1 P00352 5/20 0.34
NPC1 O15118 4/20 0.34
MEN1 O00255 1/20 0.34
RGS12 O14924 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
BLM P54132 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
KMT2A Q03164 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TYMS P04818 1/20 0.34
PGR P06401 5/20 0.33
KDM4E B2RXH2 3/20 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
SCHEMBL7997800 0.96 KDM4E (0.37) ALDH1A1NPC1MEN1USP2POLB
SCHEMBL7999048 0.96 KDM4E (0.37) ALDH1A1NPC1MEN1USP2POLB
SCHEMBL7998916 0.90 KDM4E (0.37) ALDH1A1MEN1KMT2AKDM4EMAPK1
SCHEMBL8001107 0.89 PGR (0.37) RORARORCRORBALDH1A1NPC1
SCHEMBL7999591 0.88 NPC1 (0.37) RORARORCRORBALDH1A1NPC1
SCHEMBL8830968 0.88 KDM4E (0.36) ALDH1A1NPC1MEN1USP2POLB
SCHEMBL8001837 0.87 NPC1 (0.35) RORARORCRORBALDH1A1NPC1
SCHEMBL7998299 0.87 KDM4E (0.39) RORARORCRORBALDH1A1NPC1
SCHEMBL7997587 0.87 TTR (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL7998805 0.86 MAPT (0.37) RORARORCRORBALDH1A1NPC1

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
US-6114352-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-09-05 US disclosed
EP-0785190-B1 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK & CHEMICALS (JP) 2000-08-16 EP disclosed
US-5942521-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-08-24 US disclosed