SCHEMBL6585814

SCHEMBL6585814

COc1ccc(C2(C)CCN(C)C(=O)O2)cc1OCCCCCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.45
PDE4D Q08499 5/20 0.45
PDE4A P27815 4/20 0.45
PDE4C Q08493 4/20 0.45
SIGMAR1 Q99720 4/20 0.43
EBP Q15125 2/20 0.41
TMEM97 Q5BJF2 1/20 0.41

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
SCHEMBL6584276 0.93 SIGMAR1 (0.50) PDE4BPDE4DSIGMAR1EBPTMEM97
SCHEMBL6584797 0.85 PDE4B (0.54) PDE4BPDE4DPDE4APDE4C
SCHEMBL6585598 0.82 PDE4B (0.57) PDE4BPDE4DPDE4APDE4CSIGMAR1
SCHEMBL6588290 0.79 PDE4B (0.47) PDE4BPDE4DPDE4APDE4C
SCHEMBL6584367 0.75 PDE4B (0.54) PDE4BPDE4DPDE4APDE4C
SCHEMBL6585357 0.75 PDE4B (0.60) PDE4BPDE4DPDE4APDE4CSIGMAR1
SCHEMBL6586286 0.74 PDE4B (0.45) PDE4BPDE4DPDE4APDE4CSIGMAR1
SCHEMBL6585386 0.73 PDE4A (0.56) PDE4BPDE4DPDE4APDE4C
SCHEMBL8488126 0.71 PDE4B (0.51) PDE4BPDE4DPDE4APDE4C
SCHEMBL7913482 0.69 PDE4B (0.46) PDE4BPDE4DPDE4APDE4CSIGMAR1

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