SCHEMBL6584079

SCHEMBL6584079

COc1ccc(C(O)CC#N)cc1OCCOCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.43
PDE4A P27815 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
ADRB2 P07550 5/20 0.41
DRD2 P14416 4/20 0.41
DRD1 P21728 4/20 0.41
DRD4 P21917 4/20 0.41
DRD3 P35462 4/20 0.41
ADRB1 P08588 2/20 0.41
KMT2A Q03164 1/20 0.40
ALOX5 P09917 1/20 0.39
SMPD1 P17405 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
FDPS P14324 1/20 0.39
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL6582744 0.87 SIGMAR1 (0.50) EBPTMEM97SIGMAR1
SCHEMBL7919807 0.85 NFKB1 (0.51) PDE4BPDE4APDE4CPDE4DADRB2
SCHEMBL6581651 0.80 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DFDPS
SCHEMBL6586912 0.80 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DSMPD1
SCHEMBL2205652 0.79 SGMS2 (0.46) ADRB2KMT2AALOX5
SCHEMBL6582898 0.79 PPARG (0.53) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL6586347 0.79 SLC29A1 (0.46) KMT2AEBPSIGMAR1
SCHEMBL6586702 0.77 FFAR1 (0.45) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL6583680 0.77 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DADRB2
SCHEMBL6588285 0.76 HIF1A (0.45) PDE4BPDE4APDE4CPDE4DKMT2A

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