SCHEMBL6585217

SCHEMBL6585217

COc1ccc(C(C)(O)CC#N)cc1OCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
PDE4B Q07343 5/20 0.39
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
PDE4A P27815 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
FPR2 P25090 1/20 0.36
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
XDH P47989 2/20 0.35
SLC22A12 Q96S37 1/20 0.35
ABCB1 P08183 1/20 0.35
CYP3A5 P20815 1/20 0.35

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
SCHEMBL6584387 0.86 CASP1 (0.57) CASP1HSD17B10L3MBTL1PDE4BCYP3A4
SCHEMBL6582968 0.82 CASP1 (0.45) CASP1HSD17B10L3MBTL1PDE4BPDE4A
SCHEMBL6584961 0.80 PDE4B (0.44) CASP1HSD17B10PDE4BPDE4APDE4C
SCHEMBL6582613 0.78 SIGMAR1 (0.49)
SCHEMBL6587626 0.75 PDE4B (0.48) CASP1HSD17B10PDE4BPDE4APDE4C
SCHEMBL6585141 0.72 PDE4B (0.47) CASP1HSD17B10L3MBTL1PDE4BPDE4A
SCHEMBL6588285 0.71 HIF1A (0.45) L3MBTL1PDE4BCYP3A4ALDH1A1GAA
SCHEMBL15489211 0.70 MAOB (0.50) PDE4BALDH1A1GAAPDE4APDE4C
SCHEMBL6584657 0.68 ALDH1A1 (0.60) PDE4BCYP3A4ALDH1A1ALOX15SMN1; SMN2
SCHEMBL20969213 0.68 ACHE (0.61) L3MBTL1PDE4BCYP3A4ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0928789-B1 6-PHENYLTETRAHYDRO-1,3-OXAZIN-2-ONE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2004-09-29 EP disclosed
US-6251897-B1 TREATING DERMATITIS, ASTHMA NIKKEN CHEMICALS CO., LTD (JP) 2001-06-26 US disclosed
EP-0928789-A1 6-PHENYLTETRAHYDRO-1,3-OXAZIN-2-ONE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-07-14 EP disclosed