SCHEMBL7363913

SCHEMBL7363913

[Li]c1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.59
PDE4B Q07343 14/20 0.55
PDE4D Q08499 13/20 0.55
PDE4C Q08493 12/20 0.55
POLB P06746 1/20 0.52
CYP3A4 P08684 2/20 0.50
VEGFA P15692 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50
CREBBP Q92793 1/20 0.50
MAPK14 Q16539 1/20 0.50
KDM4E B2RXH2 1/20 0.50
PDE5A O76074 1/20 0.50
TNF P01375 1/20 0.50
MAPK1 P28482 1/20 0.50
BLM P54132 1/20 0.50

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
SCHEMBL5823060 0.82 PDE4A (0.77) PDE4APDE4BPDE4DPDE4CPOLB
SCHEMBL6873641 0.81 PDE4A (0.60) PDE4APDE4BPDE4DPDE4CPOLB
SCHEMBL27521810 0.81 PDE4A (0.60) PDE4APDE4BPDE4DPDE4CPOLB
SCHEMBL7404444 0.79 PDE4A (0.59) PDE4APDE4BPDE4DPDE4CPOLB
SCHEMBL987135 0.79 PDE4A (0.59) PDE4APDE4BPDE4DPDE4CPOLB
SCHEMBL129356 0.79 PDE4A (0.59) PDE4APDE4BPDE4DPDE4CPOLB
SCHEMBL6864050 0.79 PDE4A (0.59) PDE4APDE4BPDE4DPDE4CPOLB
SCHEMBL6423139 0.79 PDE4A (0.59) PDE4APDE4BPDE4DPDE4CPOLB
SCHEMBL2469861 0.79 PDE4A (0.59) PDE4APDE4BPDE4DPDE4CPOLB
SCHEMBL9505135 0.79 PDE4A (0.59) PDE4APDE4BPDE4DPDE4CPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0642489-A1 CYCLOPENTANE AND CYCLOPENTENE DERIVATIVES WITH ANTIALLERGIC ANTIINFLAMMATORY AND TUMOR NECROSIS FACTOR INHIBITING ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 1995-03-15 EP disclosed
WO-1993007111-A1 CYCLOPENTANE AND CYCLOPENTENE DERIVATIVES WITH ANTIALLERGIC ANTIINFLAMMATORY AND TUMOR NECROSIS FACTOR INHIBITING ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 1993-04-15 WO disclosed