SCHEMBL7765366

SCHEMBL7765366

CCOc1cc([C@@](C)(O)CN)ccc1OC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.47
PDE4B Q07343 9/20 0.47
PDE4C Q08493 9/20 0.47
PDE4D Q08499 9/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
TUBB1 Q9H4B7 1/20 0.39

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
SCHEMBL8004529 1.00 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL3656868 0.89 KDM4E (0.44) KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL7767598 0.88 HSD17B10 (0.43) PDE4APDE4BPDE4DKDM4EGAA
SCHEMBL8004519 0.88 HSD17B10 (0.43) PDE4APDE4BPDE4DKDM4EGAA
SCHEMBL12024915 0.84 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL30352572 0.83 PDE4B (0.45) PDE4APDE4BPDE4CPDE4DHTR2A
SCHEMBL22713943 0.83 PDE4B (0.45) PDE4APDE4BPDE4CPDE4DHTR2A
Ammonia Solution, Strong SCHEMBL8004534 0.83 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL7765508 0.77 PDE4B (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL7995009 0.77 PDE4B (0.52) PDE4APDE4BPDE4CPDE4D

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0859766-B1 CHIRAL METHYL PHENYL OXAZOLIDINONES SCHERING AG (DE) 2001-05-16 EP disclosed
US-6025376-A INHIBITORS OF TUMOR NECROSIS FACTOR, TREATING MULTIPLE SCLEROSIS SCHERING AKTIENGESELLSCHAFT (DE) 2000-02-15 US disclosed
EP-0859766-A1 CHIRAL METHYL PHENYL OXAZOLIDINONES SCHERING AKTIENGESELLSCHAFT (DE) 1998-08-26 EP disclosed
WO-1997015561-A1 CHIRAL METHYL PHENYL OXAZOLIDINONES SCHERING AKTIENGESELLSCHAFT (DE) 1997-05-01 WO disclosed