SCHEMBL6889940

SCHEMBL6889940

COc1ccc(C(C)(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c2cc[n+](OC=O)cc2)cc1OC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.43
PDE4A P27815 12/20 0.43
PDE4D Q08499 11/20 0.43
PDE4C Q08493 10/20 0.43
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
EPHX2 P34913 1/20 0.38

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
SCHEMBL6882236 0.83 PDE4A (0.55) PDE4BPDE4APDE4DPDE4CS1PR1
SCHEMBL7486451 0.71 PDE4A (0.55) PDE4BPDE4APDE4DPDE4CS1PR1
SCHEMBL7845534 0.70 PDE4A (0.56) PDE4BPDE4APDE4DPDE4C
SCHEMBL4189274 0.69 POLB (0.54) PDE4BPDE4APDE4DPDE4CEPHX2
SCHEMBL27548932 0.68 PDE4A (0.49) PDE4BPDE4APDE4DPDE4CS1PR1
Formic Acid SCHEMBL8693256 0.67 PDE4A (0.71) PDE4BPDE4APDE4DPDE4C
SCHEMBL6881800 0.67 PDE4A (0.48) PDE4BPDE4APDE4DPDE4CS1PR1
SCHEMBL6881797 0.67 PDE4A (0.48) PDE4BPDE4APDE4DPDE4CS1PR1
SCHEMBL7442784 0.67 PDE4B (0.66) PDE4BPDE4APDE4DPDE4C
SCHEMBL5823060 0.67 PDE4A (0.77) PDE4BPDE4APDE4DPDE4CS1PR1

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-0770065-B1 TRI-SUBSTITUTED PHENYL DERIVATES USEFUL AS PDE IV INHIBITORS CELLTECH R&D LTD (GB) 2004-03-31 EP disclosed
US-6077854-A Tri-substituted phenyl derivatives and processes for their preparation CELLTECH THERAPEUTICS, LIMITED (GB) 2000-06-20 US disclosed