SCHEMBL8211014

SCHEMBL8211014

COc1cnc(/C=C/C(=O)C2CCCCC2)cc1OC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.44
PDE4B Q07343 12/20 0.44
PDE4A P27815 11/20 0.44
PDE4C Q08493 11/20 0.44
POLB P06746 1/20 0.42
PDGFRB P09619 2/20 0.42
PDGFRA P16234 2/20 0.42
MAPK14 Q16539 1/20 0.41
TRPC6 Q9Y210 1/20 0.40

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
SCHEMBL8211017 1.00 PDE4D (0.44) PDE4DPDE4BPDE4APDE4CPOLB
SCHEMBL8218377 0.99 PDE4B (0.45) PDE4DPDE4BPDE4APDE4CPOLB
SCHEMBL8218374 0.99 PDE4B (0.45) PDE4DPDE4BPDE4APDE4CPOLB
Hydrochloric Acid SCHEMBL8220692 0.90 NPC1 (0.40) POLBPDGFRBPDGFRA
Hydrochloric Acid SCHEMBL8220690 0.90 NPC1 (0.40) POLBPDGFRBPDGFRA
Hydrochloric Acid SCHEMBL8222422 0.83 KMT2A (0.38) PDE4DPDE4BPDE4APDE4CPOLB
Hydrochloric Acid SCHEMBL8222423 0.83 KMT2A (0.38) PDE4DPDE4BPDE4APDE4CPOLB
Hydrochloric Acid SCHEMBL8216874 0.82 ALDH1A1 (0.47) PDE4DPDE4BPDE4APDE4CTRPC6
Hydrochloric Acid SCHEMBL8216872 0.82 ALDH1A1 (0.47) PDE4DPDE4BPDE4APDE4CTRPC6
SCHEMBL8218650 0.81 PDE4A (0.41) PDE4DPDE4BPDE4APDE4CPOLB

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
US-6046218-A 4,5-DIMETHOXY-2-(3-OXO-3-PHENYL-1-PROPENYL)PYRIDINE USED TO CURE THE DISEASES PRODUCED BY CYTOKINE SS PHARMACEUTICAL CO., LTD. (JP) 2000-04-04 US disclosed
EP-0838457-A1 NOVEL PYRIDINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS ACTIVE INGREDIENT SS Pharmaceutical Co., Ltd. (JP) 1998-04-29 EP disclosed