SCHEMBL7310472

SCHEMBL7310472

COc1ccccc1C=C(c1ccncc1)c1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.49
PDE4D Q08499 9/20 0.49
PDE4B Q07343 7/20 0.49
PDE4C Q08493 7/20 0.49
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
PDE5A O76074 1/20 0.45

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
SCHEMBL7323473 0.87 PDE4A (0.51) PDE4APDE4DPDE4BPDE4CS1PR1
SCHEMBL7323469 0.87 PDE4A (0.51) PDE4APDE4DPDE4BPDE4CS1PR1
SCHEMBL6510627 0.86 PDE4A (0.53) PDE4APDE4DPDE4BPDE4CS1PR1
SCHEMBL7321658 0.86 PDE4A (0.53) PDE4APDE4DPDE4BPDE4CS1PR1
SCHEMBL8769611 0.85 PDE4A (0.54) PDE4APDE4DPDE4BPDE4CS1PR1
Hydrochloric Acid SCHEMBL8862774 0.84 PDE4A (0.53) PDE4APDE4DPDE4BPDE4CS1PR1
SCHEMBL7314291 0.84 PDE4A (0.53) PDE4APDE4DPDE4BPDE4CS1PR1
SCHEMBL4826823 0.83 PDE4A (0.59) PDE4APDE4DPDE4BPDE4CS1PR1
SCHEMBL7908980 0.82 PDE5A (0.49) PDE4APDE4DPDE4BPDE4CS1PR1
SCHEMBL7316509 0.82 PDE4A (0.53) PDE4APDE4DPDE4BPDE4CS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626957-B1 STYRIL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LTD (GB) 1999-03-03 EP claimed
EP-0626957-A1 STYRIL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LIMITED (GB) 1994-12-07 EP claimed
WO-1994014800-A1 STYRIL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH LIMITED (GB) 1994-07-07 WO claimed
EP-0626957-B1 STYRIL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LTD (GB) 1999-03-03 EP disclosed
US-5580888-A Styryl derivatives as anti-inflammatory agents CELLTECH THERAPEUTICS LIMITED (GB) 1996-12-03 US disclosed
EP-0626957-A1 STYRIL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LIMITED (GB) 1994-12-07 EP disclosed
WO-1994014800-A1 STYRIL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH LIMITED (GB) 1994-07-07 WO disclosed