SCHEMBL8814724

SCHEMBL8814724

CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(Br)cc1CP(=O)(OC)OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
SLC26A6 Q9BXS9 1/20 0.34
HTT P42858 2/20 0.34
MAPT P10636 4/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
TSHR P16473 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
HCRTR2 O43614 1/20 0.33
TP53 P04637 1/20 0.33
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TARBP2 Q15633 1/20 0.33
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
GABRA5 P31644 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRA3 P34903 2/20 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
SCHEMBL8816925 0.93 ALDH1A1 (0.35) ALDH1A1SLC26A6HTTMAPTKDM4E
SCHEMBL8814625 0.88 TSHR (0.37) ALDH1A1HTTMAPTKDM4EMEN1
SCHEMBL8817018 0.87 MLYCD (0.36) ALDH1A1HTTMAPTLMNA
SCHEMBL7581819 0.85 MAPT (0.36) ALDH1A1SLC26A6HTTMAPTKDM4E
SCHEMBL8816612 0.84 TP53 (0.41) ALDH1A1HTTMAPTKDM4EMEN1
SCHEMBL7572967 0.84 ALDH1A1 (0.34) ALDH1A1SLC26A6HTTMAPTKDM4E
SCHEMBL7573179 0.84 HSP90AA1 (0.34) ALDH1A1SLC26A6HTTMAPTKDM4E
SCHEMBL8814793 0.83 HTT (0.36) ALDH1A1HTTMAPTKDM4EMEN1
SCHEMBL8814475 0.82 TSHR (0.37) ALDH1A1HTTMAPTKDM4EMEN1
SCHEMBL8815680 0.81 PDE4D (0.37) ALDH1A1HTTMAPTKDM4EMEN1

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-1997023491-A1 NEW HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-03 WO disclosed