SCHEMBL8948679

SCHEMBL8948679

CCOC(=O)COC1(O)C([N+](=O)[O-])=CC=CC1C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.34
MAPT P10636 7/20 0.33
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 2/20 0.33
NPC1 O15118 1/20 0.33
S1PR4 O95977 1/20 0.33
ITGA4 P13612 1/20 0.33
HPGD P15428 1/20 0.33
S1PR1 P21453 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TLR9 Q9NR96 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
MITF O75030 1/20 0.31
HIF1A Q16665 3/20 0.30

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
SCHEMBL8265203 0.69 MAPT (0.35) MAPT
SCHEMBL2293122 0.59
SCHEMBL22497382 0.58
SCHEMBL29448241 0.58
SCHEMBL15012548 0.58 TSHR (0.34) ALDH1A1NPSR1KDM4EKMT2ATSHR
SCHEMBL28026630 0.56 LMNA (0.32) LMNAMAPTALDH1A1HPGDKDM4E
SCHEMBL14224965 0.56 GAA (0.46) LMNAMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL656776 0.55 PTGS2 (0.66) LMNAMAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL5242880 0.55
SCHEMBL989364 0.55 ALDH1A1 (0.67) LMNAMAPTALDH1A1SMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5521147-A HERBICIDES FMC CORPORATION (US) 1996-05-28 US disclosed
WO-1995005079-A1 3-(BENZOFURAN-7-YL)-6-HALOALKYLURACILS FMC CORPORATION (US) 1995-02-23 WO disclosed