SCHEMBL8218650

SCHEMBL8218650

COc1cnc(C=CC(=O)C2CCCCC2)cc1OCCCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
LMNA P02545 1/20 0.39
KMT2A Q03164 2/20 0.39
PPARA Q07869 1/20 0.38
ALDH1A1 P00352 2/20 0.37
FABP3 P05413 3/20 0.37
FABP4 P15090 3/20 0.37
PTPN1 P18031 1/20 0.37
MAPT P10636 2/20 0.36
ACHE P22303 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL8218647 1.00 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPTGDR2
Hydrochloric Acid SCHEMBL8211300 0.90 PPARA (0.43) PDE4APDE4BPDE4CPDE4DLMNA
Hydrochloric Acid SCHEMBL8211302 0.90 PPARA (0.43) PDE4APDE4BPDE4CPDE4DLMNA
Hydrochloric Acid SCHEMBL8216982 0.87 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DKMT2A
Hydrochloric Acid SCHEMBL8216986 0.87 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DKMT2A
Hydrochloric Acid SCHEMBL8218443 0.86 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DKMT2A
Hydrochloric Acid SCHEMBL8218441 0.86 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DKMT2A
Hydrochloric Acid SCHEMBL8220690 0.85 NPC1 (0.40) LMNAKMT2AALDH1A1MAPTMEN1
Hydrochloric Acid SCHEMBL8220692 0.85 NPC1 (0.40) LMNAKMT2AALDH1A1MAPTMEN1
SCHEMBL8222329 0.85 ALDH1A1 (0.39) PDE4APDE4BPDE4CPDE4DLMNA

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