SCHEMBL6584854

SCHEMBL6584854

COc1ccc(C2CCNC(=O)O2)cc1OC1CCOC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 17/20 0.50
PDE4B Q07343 14/20 0.49
PDE4A P27815 12/20 0.49
PDE4C Q08493 12/20 0.49
CYP3A4 P08684 2/20 0.43
VEGFA P15692 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
CREBBP Q92793 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PDE5A O76074 1/20 0.43
TNF P01375 1/20 0.43
MAPK1 P28482 1/20 0.43
BLM P54132 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43

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
SCHEMBL11437783 0.90 PDE4D (0.51) PDE4DPDE4BPDE4APDE4CCYP3A4
SCHEMBL6584973 0.86 PDE4B (0.65) PDE4DPDE4BPDE4APDE4CCYP3A4
SCHEMBL6584131 0.85 PDE4A (0.49) PDE4DPDE4BPDE4APDE4CALDH1A1
SCHEMBL6585044 0.83 PDE4B (0.49) PDE4DPDE4BPDE4APDE4CCYP3A4
SCHEMBL6585936 0.81 PDE4B (0.50) PDE4DPDE4BPDE4APDE4CCYP3A4
SCHEMBL6585932 0.81 PDE4B (0.50) PDE4DPDE4BPDE4APDE4CCYP3A4
SCHEMBL3545101 0.77 PDE4A (0.73) PDE4DPDE4BPDE4APDE4CCYP3A4
SCHEMBL3548426 0.77 PDE4A (0.73) PDE4DPDE4BPDE4APDE4CCYP3A4
SCHEMBL3542821 0.77 PDE4A (0.73) PDE4DPDE4BPDE4APDE4CCYP3A4
SCHEMBL3544943 0.77 PDE4A (0.73) PDE4DPDE4BPDE4APDE4CCYP3A4

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