SCHEMBL6583751

SCHEMBL6583751

COc1ccc(C2CCN(C)C(=O)O2)cc1OCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.51
HIF1A Q16665 1/20 0.47
EPAS1 Q99814 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
EBP Q15125 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
TP53 P04637 1/20 0.44
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL6586286 0.93 PDE4B (0.45) SIGMAR1HIF1AEPAS1MEN1KMT2A
SCHEMBL6584431 0.91 HIF1A (0.47) SIGMAR1HIF1AEPAS1
SCHEMBL6583511 0.89 PDE4B (0.44) SIGMAR1HIF1AEPAS1MEN1KMT2A
SCHEMBL6584261 0.85 PDE4B (0.51) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL6585371 0.85 FAAH (0.41) HIF1AEPAS1MEN1KMT2A
SCHEMBL7963965 0.83 PDE4A (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL6583426 0.82 PDE4B (0.51) PDE4BPDE4D
SCHEMBL6588339 0.81 CHRM5 (0.42) HIF1AEPAS1MEN1KMT2ANPSR1
SCHEMBL6582719 0.81 PDE4B (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL6582911 0.81 PDE4B (0.51) HIF1AEPAS1KMT2ANPSR1TP53

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