SCHEMBL6586702

SCHEMBL6586702

COc1ccc(C(O)CC#N)cc1OCCc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
SIGMAR1 Q99720 7/20 0.41
EBP Q15125 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 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
SCHEMBL6582744 0.89 SIGMAR1 (0.50) SIGMAR1EBPTMEM97
SCHEMBL7906172 0.84 NFKB1 (0.53) FFAR1FFAR4PPARDPPARASIGMAR1
SCHEMBL6586912 0.82 PDE4B (0.46) PPARDPPARAPDE4APDE4BPDE4C
SCHEMBL6582898 0.81 PPARG (0.53) PPARDPPARAKMT2APDE4APDE4B
SCHEMBL6583680 0.79 PDE4B (0.42) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL6588285 0.78 HIF1A (0.45) PPARDPPARAKMT2APDE4APDE4B
SCHEMBL6584079 0.77 PDE4B (0.43) SIGMAR1EBPTMEM97KMT2APDE4A
SCHEMBL6585940 0.77 L3MBTL1 (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL6584988 0.77 CHEK1 (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL6586764 0.77 PDE4B (0.46) PPARDPPARAPDE4APDE4BPDE4C

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