SCHEMBL8709689

SCHEMBL8709689

CCCCOC(=O)c1c(CCCC)oc2ccc(Br)cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
TTR P02766 1/20 0.45
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
EYA3 Q99504 2/20 0.41
MAPT P10636 1/20 0.41
PTPN1 P18031 1/20 0.41
LMNA P02545 1/20 0.41
KDM5A P29375 2/20 0.40
CYP2C9 P11712 1/20 0.40
KDM7A Q6ZMT4 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
SMPD1 P17405 1/20 0.40
ALOX5 P09917 1/20 0.40
KDM4A O75164 1/20 0.40
ING2 Q9H160 1/20 0.40

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
SCHEMBL8712698 0.76 MAOB (0.59) ATMMAPTPTPN1LMNA
SCHEMBL8712815 0.75 PTGS2 (0.54) CA12CA9MAPTLMNAALOX5
SCHEMBL16546853 0.74 EYA3 (0.57) TTREYA3PTPN1KDM5AKDM7A
SCHEMBL16546854 0.73 EYA3 (0.56) TTREYA3PTPN1KDM5AKDM7A
SCHEMBL25392883 0.73 TTR (0.77) TTREYA3MAPTPTPN1LMNA
SCHEMBL29853044 0.72 MAPT (0.49) CA12CA9EYA3MAPTCYP2C9
SCHEMBL23218696 0.72 MAPT (0.49) CA12CA9EYA3MAPTCYP2C9
SCHEMBL2564123 0.72 ESR1 (0.72)
SCHEMBL31166519 0.72 ESR1 (0.72)
SCHEMBL18407416 0.72 ALDH1A1 (0.58) TTREYA3PTPN1CYP2C9

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