SCHEMBL6882017

SCHEMBL6882017

COc1cc(-c2ccccc2CCc2ccncc2)ccc1OC1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.56
PDE4D Q08499 6/20 0.52
PDE4B Q07343 4/20 0.52
PDE4C Q08493 3/20 0.52
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47

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
SCHEMBL27657387 0.96 PDE4A (0.56) PDE4APDE4DPDE4BPDE4CS1PR1
Hydrochloric Acid SCHEMBL28062431 0.95 PDE4D (0.57) PDE4APDE4DPDE4BPDE4CS1PR1
SCHEMBL6886859 0.82 PDE4A (0.59) PDE4APDE4DPDE4BPDE4C
SCHEMBL6882014 0.82 PDE4A (0.54) PDE4APDE4DPDE4BPDE4C
SCHEMBL6882038 0.82 PDE4D (0.48) PDE4APDE4DPDE4BPDE4CS1PR1
SCHEMBL6890101 0.81 PDE4A (0.61) PDE4APDE4DPDE4BPDE4C
Hydrochloric Acid SCHEMBL6887550 0.81 PDE4A (0.60) PDE4APDE4DPDE4BPDE4C
SCHEMBL7331305 0.79 PDE4A (0.54) PDE4APDE4DPDE4BPDE4C
SCHEMBL7331316 0.79 PDE4A (0.54) PDE4APDE4DPDE4BPDE4C
SCHEMBL7911028 0.79 PDE4D (0.53) PDE4APDE4DPDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0766671-B1 TETRA-SUBSTITUTED PHENYL DERIVATIVES USEFUL AS PDE IV INHIBITORS CELLTECH R&D LTD (GB) 2004-09-29 EP claimed