SCHEMBL6583889

SCHEMBL6583889

COc1ccc(C(C)=O)cc1OCCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.60
PDE4B Q07343 4/20 0.60
PDE4C Q08493 4/20 0.60
PDE4D Q08499 4/20 0.60
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
SIGMAR1 Q99720 7/20 0.56
SMPD1 P17405 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
EBP Q15125 1/20 0.53
TMEM97 Q5BJF2 1/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
KMT2A Q03164 1/20 0.53
LPAR1 Q92633 1/20 0.52

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
SCHEMBL6584958 0.91 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL8890661 0.90 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL8890208 0.88 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL9236564 0.86 SMPD1 (0.73) NPC1RAB9ASMPD1HDAC1HDAC8
SCHEMBL30622576 0.84 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL17844309 0.84 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL8418846 0.84 L3MBTL1 (0.50) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL7332426 0.83 KMT2A (0.60) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7178691 0.83 AKR1C3 (0.49) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL17844306 0.82 NPC1 (0.59) PDE4APDE4BPDE4CPDE4DNPC1

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