SCHEMBL8001105

SCHEMBL8001105

CCCCn1c(=O)c(OC)c(OCC=C(C)C)c2ccc(N)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 2/20 0.38
MAPT P10636 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
ABCB1 P08183 1/20 0.38
PTPN1 P18031 1/20 0.37
PGR P06401 6/20 0.37
RORA P35398 3/20 0.37
RORC P51449 3/20 0.37
RORB Q92753 3/20 0.37
KDM4E B2RXH2 3/20 0.35
MAPK1 P28482 2/20 0.35
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
RGS12 O14924 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 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
SCHEMBL7989070 0.96 KDM4E (0.40) CYP1B1MAPTCYP1A1CYP1A2ABCB1
SCHEMBL7989010 0.96 KDM4E (0.40) CYP1B1MAPTCYP1A1CYP1A2ABCB1
SCHEMBL8001831 0.92 PTPN1 (0.35) CYP1B1MAPTPTPN1PGRRORA
SCHEMBL7999587 0.92 NPC1 (0.37) CYP1B1MAPTPTPN1PGRRORA
SCHEMBL7988216 0.92 BACE1 (0.44) MAPTKDM4EMAPK1ALDH1A1MEN1
SCHEMBL7988214 0.92 BACE1 (0.44) MAPTKDM4EMAPK1ALDH1A1MEN1
SCHEMBL8001085 0.90 KDM4E (0.35) CYP1B1MAPTPTPN1PGRRORA
SCHEMBL8002113 0.90 MEN1 (0.37) CYP1B1MAPTPGRRORARORC
SCHEMBL7998295 0.90 KDM4E (0.38) CYP1B1PTPN1PGRRORARORC
SCHEMBL7997305 0.90 MEN1 (0.37) CYP1B1MAPTPGRRORARORC

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