SCHEMBL7998933

SCHEMBL7998933

CC=C(CC)Oc1c(O)c(=O)[nH]c2cc(N(C)C)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.38
KDM4E B2RXH2 4/20 0.37
MAPT P10636 2/20 0.34
THRB P10828 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
ELANE P08246 1/20 0.33
PRKAG1 P54619 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAB1 Q9Y478 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
SCHEMBL7987954 0.83 PARP1 (0.43) AR
SCHEMBL7998980 0.83 AR (0.34) ARKDM4EMAPTTHRBALDH1A1
SCHEMBL8001404 0.80 AR (0.45) ARKDM4EMAPTTHRBALDH1A1
SCHEMBL7998056 0.80 PARP1 (0.48) MAPTGAA
SCHEMBL7997924 0.79 AR (0.40) ARKDM4EMAPTTHRBALDH1A1
SCHEMBL8000824 0.77 ALOX15 (0.41) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL7988876 0.77 GPR84 (0.40) ARKDM4ETHRBALDH1A1HSD17B10
SCHEMBL7998927 0.77 ALDH1A1 (0.38) ARKDM4EMAPTTHRBALDH1A1
SCHEMBL7988442 0.75 KDM4E (0.51) ARKDM4EMAPTTHRBALDH1A1
SCHEMBL7997201 0.73 TDP1 (0.45) KDM4EMAPTALDH1A1HSD17B10HPGD

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