SCHEMBL9820074

SCHEMBL9820074

COc1cc(OC)c(C=O)c(OC)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.43
POLB P06746 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PRKDC P78527 1/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 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
SCHEMBL5372841 0.81 POLB (0.51) ERN1POLBLMNASMN1; SMN2ALDH1A1
SCHEMBL4272786 0.72 RECQL (0.47) ERN1POLBLMNASMN1; SMN2ALDH1A1
SCHEMBL31276737 0.71 ALDH1A1 (0.42) ERN1POLBLMNASMN1; SMN2ALDH1A1
SCHEMBL29079868 0.71 ALDH1A1 (0.42) ERN1POLBLMNASMN1; SMN2ALDH1A1
SCHEMBL19330363 0.70 ERN1 (0.43) ERN1POLBLMNASMN1; SMN2PRKDC
SCHEMBL2674287 0.69 CYP1A2 (0.44) ERN1POLBLMNASMN1; SMN2ALDH1A1
SCHEMBL19353921 0.69 ERN1 (0.56) ERN1POLB
SCHEMBL27429280 0.68 ERN1 (0.34) ERN1POLBALDH1A1KDM4EHPGD
SCHEMBL18510117 0.68 ERN1 (0.44) ERN1POLBLMNASMN1; SMN2PRKDC
SCHEMBL746493 0.68 ERN1 (0.44) ERN1PRKDCALDH1A1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0104876-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1991-12-27 EP disclosed
US-4631081-A Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1986-12-23 US disclosed
EP-0104876-A2 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1984-04-04 EP disclosed