SCHEMBL8004050

SCHEMBL8004050

CC(C)=CCOc1c(OC=O)c(=O)n(C)c2cc(NCc3ccccc3)ccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.36
HPGD P15428 3/20 0.34
ALDH1A1 P00352 3/20 0.34
ADORA2B P29275 2/20 0.34
ADORA1 P30542 1/20 0.34
IP6K1 Q92551 1/20 0.34
ADORA2A P29274 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33

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
SCHEMBL7988986 0.93 MAOB (0.38) MAOBHPGDALDH1A1ADORA2BADORA1
SCHEMBL8004758 0.92 ALOX15 (0.39) HPGDALDH1A1MEN1KMT2ACYP3A4
SCHEMBL8004768 0.92 ALOX15 (0.39) HPGDALDH1A1MEN1KMT2ACYP3A4
SCHEMBL8074644 0.89 KDM4E (0.41) MAOBHPGDALDH1A1ADORA2BADORA1
SCHEMBL7999664 0.88 MAOB (0.36) MAOBHPGDALDH1A1ADORA2BADORA1
SCHEMBL7998987 0.87 ADRA2A (0.38) MAOBHPGDALDH1A1ADORA2BADORA1
SCHEMBL7998747 0.85 MAOB (0.41) MAOBHPGDALDH1A1IP6K1MEN1
SCHEMBL8000960 0.85 BACE1 (0.42) HPGDALDH1A1MEN1KMT2ACYP3A4
SCHEMBL8000955 0.85 BACE1 (0.42) HPGDALDH1A1MEN1KMT2ACYP3A4
SCHEMBL7998584 0.85 ADRA2A (0.40) MAOBHPGDALDH1A1ADORA2BADORA1

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