SCHEMBL6586912

SCHEMBL6586912

CCCCOc1cc(C(O)CC#N)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.46
PDE4D Q08499 6/20 0.46
PDE4A P27815 5/20 0.46
PDE4C Q08493 5/20 0.46
SMPD1 P17405 4/20 0.42
ALDH1A1 P00352 2/20 0.42
FDPS P14324 3/20 0.41
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6582898 0.86 PPARG (0.53) PDE4BPDE4DPDE4APDE4CALDH1A1
SCHEMBL6586764 0.84 PDE4B (0.46) PDE4BPDE4DPDE4APDE4CALDH1A1
SCHEMBL6588285 0.83 HIF1A (0.45) PDE4BPDE4DPDE4APDE4CALDH1A1
SCHEMBL6582744 0.83 SIGMAR1 (0.50)
SCHEMBL7914446 0.82 NFKB1 (0.60) PDE4BPDE4DPDE4APDE4CSMPD1
SCHEMBL6586702 0.82 FFAR1 (0.45) PDE4BPDE4DPDE4APDE4CPPARD
SCHEMBL10080328 0.82 SMPD1 (0.48) PDE4BPDE4DPDE4APDE4CSMPD1
SCHEMBL6584615 0.81 PDE4B (0.60) PDE4BPDE4DPDE4APDE4C
SCHEMBL7333971 0.80 SMPD1 (0.50) PDE4BPDE4DPDE4APDE4CSMPD1
SCHEMBL6584079 0.80 PDE4B (0.43) PDE4BPDE4DPDE4APDE4CSMPD1

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