SCHEMBL7998927

SCHEMBL7998927

CC(C)=CCOc1c(O)c(=O)[nH]c2cc(N(C)C)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
CYP1B1 Q16678 3/20 0.38
LMNA P02545 1/20 0.38
ACHE P22303 1/20 0.38
AR P10275 1/20 0.38
KDM4E B2RXH2 5/20 0.37
MAPT P10636 4/20 0.37
HSD17B10 Q99714 3/20 0.37
CYP3A4 P08684 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 3/20 0.36
ABCB1 P08183 2/20 0.36
BACE1 P56817 1/20 0.36
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 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
SCHEMBL7997197 0.91 TDP1 (0.45) ALDH1A1KDM4EMAPTHSD17B10CYP3A4
SCHEMBL7997201 0.91 TDP1 (0.45) ALDH1A1KDM4EMAPTHSD17B10CYP3A4
SCHEMBL7998976 0.85 ALDH1A1 (0.36) ALDH1A1CYP1B1LMNAACHEAR
SCHEMBL7987949 0.83 PARP1 (0.43) ALDH1A1CYP1B1LMNAACHEAR
SCHEMBL7997242 0.83 TDP1 (0.46) ALDH1A1KDM4EMAPTHSD17B10CYP3A4
SCHEMBL7997239 0.83 TDP1 (0.46) ALDH1A1KDM4EMAPTHSD17B10CYP3A4
SCHEMBL8000820 0.83 TDP1 (0.46) ALDH1A1KDM4EMAPTHSD17B10CYP3A4
SCHEMBL8000828 0.83 TDP1 (0.46) ALDH1A1KDM4EMAPTHSD17B10CYP3A4
SCHEMBL7988339 0.81 TDP1 (0.46) ALDH1A1KDM4EMAPTHSD17B10CYP3A4
SCHEMBL7988333 0.81 TDP1 (0.46) ALDH1A1KDM4EMAPTHSD17B10CYP3A4

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
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
EP-0785190-A2 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1997-07-23 EP disclosed