SCHEMBL6582744

SCHEMBL6582744

COc1ccc(C(O)CC#N)cc1OCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.50
EBP Q15125 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50

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
SCHEMBL6586702 0.89 FFAR1 (0.45) SIGMAR1EBPTMEM97
SCHEMBL6584079 0.87 PDE4B (0.43) SIGMAR1EBPTMEM97
SCHEMBL6583680 0.84 PDE4B (0.42)
SCHEMBL7919811 0.84 NFKB1 (0.55) SIGMAR1EBPTMEM97
SCHEMBL6586912 0.83 PDE4B (0.46)
SCHEMBL6585940 0.82 L3MBTL1 (0.41)
SCHEMBL6582898 0.82 PPARG (0.53)
SCHEMBL6586347 0.81 SLC29A1 (0.46) SIGMAR1EBP
SCHEMBL6588285 0.79 HIF1A (0.45)
SCHEMBL6584988 0.78 CHEK1 (0.41)

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