SCHEMBL6584299

SCHEMBL6584299

COc1ccc(C2CCN(Cc3ccccc3)C(=O)O2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.57
PDE4B Q07343 1/20 0.57
PDE4C Q08493 1/20 0.57
PDE4D Q08499 1/20 0.57
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
POLB P06746 1/20 0.47
TP53 P04637 2/20 0.46
LMNA P02545 1/20 0.46
GRM2 Q14416 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL2899903 0.88 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL6587884 0.81 PDE4B (0.65) PDE4APDE4BPDE4CPDE4D
SCHEMBL6582390 0.81 PDE4A (0.56) PDE4APDE4BPDE4CPDE4D
SCHEMBL6588131 0.81 PDE4B (0.54) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL6583093 0.80 PDE4A (0.51) PDE4APDE4BPDE4CPDE4D
SCHEMBL7963965 0.78 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL6583751 0.78 SIGMAR1 (0.51) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL6588327 0.77 PDE4B (0.44) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL6583335 0.76 PDE4B (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL6585269 0.76 PDE4B (0.47) PDE4APDE4BPDE4CPDE4DCYP3A4

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