SCHEMBL8715959

SCHEMBL8715959

CCCCCNc1ccc(Br)cc1C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.58
ALDH1A1 P00352 2/20 0.50
GAA P10253 2/20 0.50
APEX1 P27695 1/20 0.49
POLB P06746 1/20 0.48
THRB P10828 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 2/20 0.44
GLA P06280 1/20 0.44
MGLL Q99685 1/20 0.44
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HCAR3 P49019 1/20 0.42
NR4A2 P43354 1/20 0.42
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CNR1 P21554 1/20 0.41
AKR1C2 P52895 1/20 0.41

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
SCHEMBL15635696 0.90 ALDH1A1 (0.53) CNR2ALDH1A1GAAAPEX1POLB
SCHEMBL9195780 0.84 PLK1 (0.52) CNR2ALDH1A1GAAHPGDKDM4E
SCHEMBL2913206 0.83 HCAR3 (0.48) CNR2ALDH1A1GAAHPGDKDM4E
SCHEMBL9194517 0.83 ABL1 (0.47) KDM4EGLACNR1
SCHEMBL3396257 0.83 KDM4E (0.52) CNR2ALDH1A1GAAHPGDKDM4E
SCHEMBL6511917 0.81 FPR3 (0.45) CNR2ALDH1A1GAAAPEX1MAOA
SCHEMBL5928710 0.80 KDM4E (0.69) CNR2ALDH1A1GAAPOLBHTT
SCHEMBL8715955 0.80 POLB (0.76) ALDH1A1GAAPOLBHPGDKDM4E
SCHEMBL15635588 0.79 KDM4E (0.46) CNR2ALDH1A1GAAHPGDKDM4E
SCHEMBL12723401 0.79 RIPK1 (0.47) ALDH1A1GAAHPGDKDM4EGLA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998027080-A1 CHROMONES USEFUL AS FUNGICIDES AGREVO UK LIMITED (GB) 1998-06-25 WO disclosed