SCHEMBL7997501

SCHEMBL7997501

CCCCNc1ccc2c(OCC=C(C)C)c(OCCCC)c(=O)n(C)c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
AR P10275 1/20 0.34
LMNA P02545 4/20 0.34
ACHE P22303 2/20 0.34
CYP1B1 Q16678 2/20 0.34
RXRA P19793 1/20 0.33
TP53 P04637 1/20 0.32
MTNR1A P48039 1/20 0.32
CRBN Q96SW2 1/20 0.32
ATM Q13315 2/20 0.32
PGR P06401 2/20 0.32
RORA P35398 1/20 0.32
RORC P51449 1/20 0.32
RORB Q92753 1/20 0.32
CYP1A2 P05177 3/20 0.31
MAPK1 P28482 2/20 0.31

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
SCHEMBL7997246 0.96 AR (0.33) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL7998191 0.94 ABL1 (0.33) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL7997493 0.92 MAPT (0.37) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL8001068 0.92 TDP1 (0.40) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL8001063 0.92 TDP1 (0.40) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL8001557 0.90 AR (0.40) ALDH1A1KDM4EMAPTARLMNA
SCHEMBL8002087 0.90 TP53 (0.33) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL8001527 0.89 ABL1 (0.33) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL7998040 0.89 TDP1 (0.39) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL7997972 0.89 TDP1 (0.39) ALDH1A1KDM4EMAPTHPGDMTNR1A

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