SCHEMBL8106898

SCHEMBL8106898

CC(=O)C(C)(C)N1COC(C)=C(c2ccccc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
CYP1A2 P05177 1/20 0.33
MT-CO2 P00403 2/20 0.32
ALOX5 P09917 1/20 0.32
ALDH2 P05091 1/20 0.31
PTGS2 P35354 5/20 0.31
PTGS1 P23219 3/20 0.31
ABCB11 O95342 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTR1A P08908 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
MC4R P32245 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
MAPK1 P28482 1/20 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
SCHEMBL7209897 0.90 KMT2A (0.36) KMT2AHSP90AA1HSP90AB1SMN1; SMN2KDM4E
SCHEMBL8112940 0.88 KMT2A (0.35) KMT2AHSP90AA1HSP90AB1SMN1; SMN2KDM4E
SCHEMBL19261230 0.88 KMT2A (0.35) KMT2AHSP90AA1HSP90AB1SMN1; SMN2KDM4E
SCHEMBL8111418 0.86 KMT2A (0.33) KMT2AHSP90AA1HSP90AB1SMN1; SMN2KDM4E
SCHEMBL8097626 0.85 FGFR1 (0.33) KMT2AHSP90AA1HSP90AB1SMN1; SMN2KDM4E
SCHEMBL8106875 0.85 OPRM1 (0.34) KMT2AHSP90AA1HSP90AB1SMN1; SMN2KDM4E
SCHEMBL7209825 0.85 PDK1 (0.40) KMT2AHSP90AA1HSP90AB1KDM4EHPGD
SCHEMBL8105338 0.84 HPGD (0.35) KMT2ASMN1; SMN2KDM4EHPGDALDH1A1
SCHEMBL8097651 0.84 LMNA (0.34) KMT2ASMN1; SMN2KDM4EHPGDALDH2
SCHEMBL8097596 0.84 ADORA1 (0.35) KMT2ASMN1; SMN2KDM4EHPGDALDH1A1

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-6046135-A FOR CONTROLLING WEEDS RHONE-POULENC AGRICULTURE LTD (GB) 2000-04-04 US claimed
US-6046135-A FOR CONTROLLING WEEDS RHONE-POULENC AGRICULTURE LTD (GB) 2000-04-04 US disclosed