SCHEMBL6584958

SCHEMBL6584958

COc1ccc(C(C)=O)cc1OCCCCCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.70
PDE4B Q07343 3/20 0.70
PDE4C Q08493 3/20 0.70
PDE4D Q08499 3/20 0.70
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SMPD1 P17405 5/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MAOB P27338 1/20 0.52
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 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
SCHEMBL7153812 0.92 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL6583889 0.91 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL6942928 0.89 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL9712873 0.85 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL8890661 0.84 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL7332426 0.83 KMT2A (0.60) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL7369768 0.82 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL28957152 0.82 SMPD1 (0.73) PDE4BKMT2ASMPD1MAOB
SCHEMBL9236564 0.82 SMPD1 (0.73) NPC1RAB9AKMT2ASMPD1HDAC1
SCHEMBL7376634 0.81 PDE4A (1.00) 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