SCHEMBL9296381

SCHEMBL9296381

CCOC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)C(C)=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 3/20 0.73
MAPT P10636 9/20 0.58
LMNA P02545 7/20 0.58
KMT2A Q03164 7/20 0.55
MEN1 O00255 6/20 0.55
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 3/20 0.55
HSP90AA1 P07900 1/20 0.55
HPGD P15428 1/20 0.55
NPSR1 Q6W5P4 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
S1PR4 O95977 1/20 0.55
S1PR1 P21453 1/20 0.55
MAPK1 P28482 1/20 0.55
PTGS2 P35354 1/20 0.47

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
SCHEMBL9296374 1.00 GLO1 (0.73) GLO1MAPTLMNAKMT2AMEN1
SCHEMBL9296584 1.00 GLO1 (0.73) GLO1MAPTLMNAKMT2AMEN1
SCHEMBL1856657 0.93 GLO1 (0.66) GLO1MAPTLMNAKMT2AMEN1
SCHEMBL11547343 0.89 GLO1 (0.59) GLO1MAPTLMNAKMT2AMEN1
SCHEMBL11547357 0.89 GLO1 (0.59) GLO1MAPTLMNAKMT2AMEN1
SCHEMBL2411848 0.89 KMT2A (0.59) GLO1MAPTLMNAKMT2AMEN1
SCHEMBL3034223 0.86 GLO1 (0.54) GLO1MAPTLMNAKMT2AMEN1
SCHEMBL3034226 0.86 GLO1 (0.54) GLO1MAPTLMNAKMT2AMEN1
SCHEMBL11770641 0.85 GLO1 (0.55) GLO1MAPTLMNAKMT2AMEN1
SCHEMBL15981225 0.85 MAPT (0.57) GLO1MAPTLMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993009774-A1 2-(4-SUBSTITUTED)PHENYLMETHYLENE DERIVATIVES AND METHODS OF USE G.D. SEARLE & CO. (US) 1993-05-27 WO claimed
CN-116287032-A Method for preparing 3-oxo-ethyl butyrate derivative by reacting aromatic aldehyde with ethyl acetoacetate under enzyme catalysis 岭南师范学院 2023-06-23 CN disclosed
US-5280047-A Inhibiting 5-lipoxygenase in mammals G. D. SEARLE & CO. (US) 1994-01-18 US disclosed
WO-1993009774-A1 2-(4-SUBSTITUTED)PHENYLMETHYLENE DERIVATIVES AND METHODS OF USE G.D. SEARLE & CO. (US) 1993-05-27 WO disclosed