SCHEMBL7988362

SCHEMBL7988362

CCCCOc1c(OCC=C(C)C)c2ccc(NCC)cc2[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.39
ALDH1A1 P00352 4/20 0.35
GAA P10253 3/20 0.35
HPGD P15428 3/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP1B1 Q16678 3/20 0.35
LMNA P02545 2/20 0.35
ACHE P22303 1/20 0.35
GPR17 Q13304 1/20 0.34
SERPINE1 P05121 2/20 0.33
HTR1A P08908 1/20 0.33
HTR2C P28335 1/20 0.33
ABCB1 P08183 2/20 0.33
CYP3A4 P08684 1/20 0.33
BACE1 P56817 1/20 0.33
RXRA P19793 1/20 0.33
BRD4 O60885 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 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
SCHEMBL7997537 0.96 AR (0.38) ARALDH1A1GAAHPGDMAPT
SCHEMBL8000806 0.96 AR (0.38) ARALDH1A1GAAHPGDMAPT
SCHEMBL7988440 0.92 TDP1 (0.41) ARALDH1A1GAAHPGDMAPT
SCHEMBL7988451 0.92 TDP1 (0.41) ARALDH1A1GAAHPGDMAPT
SCHEMBL8004560 0.89 AR (0.47) ARALDH1A1HPGDMAPTKDM4E
SCHEMBL7988875 0.88 CYP3A4 (0.40) ARALDH1A1HPGDMAPTKDM4E
SCHEMBL8002151 0.88 CYP3A4 (0.40) ARALDH1A1HPGDMAPTKDM4E
SCHEMBL8002158 0.88 CYP3A4 (0.40) ARALDH1A1HPGDMAPTKDM4E
SCHEMBL7988884 0.88 CYP3A4 (0.40) ARALDH1A1HPGDMAPTKDM4E
SCHEMBL7999421 0.88 KDM4E (0.43) ARALDH1A1GAAMAPTKDM4E

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