SCHEMBL8715955

SCHEMBL8715955

CCCCC(=O)Nc1ccc(Br)cc1C(=O)OC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.76
KDM4E B2RXH2 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
ALDH1A1 P00352 6/20 0.55
GAA P10253 1/20 0.55
KMT2A Q03164 4/20 0.51
ALOX12 P18054 1/20 0.51
NPY1R P25929 1/20 0.51
NPY2R P49146 1/20 0.51
PSMD14 O00487 1/20 0.49
MMP2 P08253 1/20 0.49
DNMT1 P26358 1/20 0.49
RECQL P46063 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RAB9A P51151 1/20 0.49
MAPK1 P28482 1/20 0.48
MEN1 O00255 1/20 0.47
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL22798895 0.86 POLB (0.80) POLBKDM4ETDP1ALDH1A1KMT2A
SCHEMBL4604562 0.86 ALDH1A1 (0.60) POLBKDM4ETDP1ALDH1A1GAA
SCHEMBL29441245 0.86 ALDH1A1 (0.60) POLBKDM4ETDP1ALDH1A1GAA
SCHEMBL28327811 0.85 HPGD (0.58) POLBKDM4ETDP1ALDH1A1GAA
SCHEMBL9195775 0.85 GAA (0.59) POLBKDM4ETDP1ALDH1A1GAA
SCHEMBL9194516 0.84 ALDH1A1 (0.64) POLBKDM4EALDH1A1GAAKMT2A
SCHEMBL31146171 0.83 POLB (0.53) POLBKDM4ETDP1ALDH1A1GAA
SCHEMBL1184961 0.83 POLB (0.53) POLBKDM4ETDP1ALDH1A1GAA
SCHEMBL16650906 0.83 ALDH1A1 (0.60) POLBKDM4ETDP1ALDH1A1GAA
SCHEMBL23779926 0.83 POLB (0.74) POLBKDM4ETDP1ALDH1A1KMT2A

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