SCHEMBL7763127

SCHEMBL7763127

COc1ccc([C@]2(C)CNC(=O)O2)cc1OC1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.64
PDE4D Q08499 18/20 0.64
PDE4A P27815 17/20 0.55
PDE4C Q08493 17/20 0.55
CYP3A4 P08684 2/20 0.48
VEGFA P15692 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48
CREBBP Q92793 1/20 0.48
KDM4E B2RXH2 1/20 0.48
PDE5A O76074 1/20 0.48
TNF P01375 1/20 0.48
MAPK1 P28482 1/20 0.48
BLM P54132 1/20 0.48
PDE1A P54750 1/20 0.48
PDE1B Q01064 1/20 0.48

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
SCHEMBL7764127 1.00 PDE4B (0.64) PDE4BPDE4DPDE4APDE4CCYP3A4
SCHEMBL7763150 1.00 PDE4B (0.64) PDE4BPDE4DPDE4APDE4CCYP3A4
SCHEMBL7763976 0.98 PDE4B (0.64) PDE4BPDE4DPDE4APDE4CCYP3A4
SCHEMBL7763968 0.98 PDE4B (0.64) PDE4BPDE4DPDE4APDE4CCYP3A4
SCHEMBL6585249 0.89 PDE4B (0.56) PDE4BPDE4DPDE4APDE4CCYP3A4
SCHEMBL8483296 0.87 PDE4D (0.59) PDE4BPDE4DPDE4APDE4C
SCHEMBL11435807 0.86 PDE4B (0.77) PDE4BPDE4DPDE4APDE4CLMNA
SCHEMBL7906256 0.84 PDE4B (0.53) PDE4BPDE4DPDE4APDE4CCYP3A4
SCHEMBL8486187 0.81 PDE4B (0.72) PDE4BPDE4DPDE4APDE4C
SCHEMBL7170258 0.80 PDE4B (0.60) PDE4BPDE4DPDE4APDE4C

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