SCHEMBL8022702

SCHEMBL8022702

CC=C(Oc1cc(CC=NO)ccc1C)C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.35
PKM P14618 1/20 0.35
TDP1 Q9NUW8 3/20 0.34
GAA P10253 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACHE P22303 2/20 0.32
BCHE P06276 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
ALOX5 P09917 1/20 0.32
OR51E2 Q9H255 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL8022699 0.90 PTGS1 (0.34) PTGS1PKMTDP1GAASLC22A12
SCHEMBL8024516 0.84 PKM (0.34) PTGS1PKMMEN1KMT2ANPC1
SCHEMBL8020546 0.82 ALDH1A1 (0.36) PKMTDP1GAASLC22A12MEN1
SCHEMBL8022472 0.79 CTBP2 (0.41) MEN1KMT2ASMN1; SMN2ACHEALDH1A1
SCHEMBL26419875 0.76 FFAR1 (0.46) PKMTDP1SLC22A12MEN1KMT2A
SCHEMBL8024513 0.75 PKM (0.33) PTGS1PKM
SCHEMBL8026100 0.74 NOTUM (0.39) TDP1GAAMEN1KMT2ANPC1
SCHEMBL26419706 0.74 MAPT (0.41) MEN1KMT2AACHEALDH1A1MAPT
SCHEMBL8020542 0.74 ALDH1A1 (0.35) PKMTDP1GAASLC22A12MEN1
SCHEMBL8026649 0.73 NOTUM (0.42) TDP1MEN1KMT2ARAB9AL3MBTL1

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
EP-0975587-A1 OXIME ETHER COMPOUNDS, THEIR USE AND INTERMEDIATES FOR PREPARATIONS OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-02 EP disclosed
WO-1998043949-A1 OXIME ETHER COMPOUNDS, THEIR USE AND INTERMEDIATES FOR PREPARATIONS OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-10-08 WO disclosed