SCHEMBL8320772

SCHEMBL8320772

COC(=O)CC(NCl)c1ccc(OC(F)F)c(OCC2CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.56
PDE4A P27815 19/20 0.56
PDE4C Q08493 19/20 0.56
PDE4D Q08499 19/20 0.56
ABCB11 O95342 1/20 0.49

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
SCHEMBL1143518 0.86 PDE4B (0.57) PDE4BPDE4APDE4CPDE4DABCB11
Hydrochloric Acid SCHEMBL1144045 0.85 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL27735649 0.78 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL28628502 0.77 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL832576 0.77 PDE4B (0.61) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL16411001 0.77 PDE4B (0.55) PDE4BPDE4APDE4CPDE4D
SCHEMBL23717240 0.76 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL6461060 0.76 PDE4B (0.74) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL29723540 0.76 PDE4B (0.74) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL16409548 0.76 PDE4B (0.57) PDE4BPDE4APDE4CPDE4D

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-1587474-B1 FLUOROALKOXY-SUBSTITUTED 1, 3-DIHYDRO-ISOINDOLYL COMPOUNDS AND THEIR PHARMACEUTICAL USES CELGENE CORP (US) 2009-11-18 EP disclosed
US-7504427-B2 Fluoroalkoxy-substituted 1,3-dihydro-isoindolyl compounds and their pharmaceutical uses CELGENE CORPORATION (US) 2009-03-17 US disclosed
WO-2004060313-A2 FLUOROALKOXY-SUBSTITUTED 1, 3-DIHYDRO-ISOINDOLYL COMPOUNDS AND THEIR PHARMACEUTICAL USES CELGENE CORPORATION (US) 2004-07-22 WO disclosed