SCHEMBL11209507

SCHEMBL11209507

C=CCC(C(=O)N(CCC)CCC)c1ccc(OC)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.48
HIF1A Q16665 2/20 0.47
CCR3 P51677 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ACHE P22303 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KCNQ2 O43526 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
SCHEMBL3829775 0.80 CYP2C19 (0.55) HIF1ACCR3NPSR1ACHEPPARG
SCHEMBL18255541 0.80 HIF1A (0.53) HIF1ACCR3NPSR1ACHEKDM4E
SCHEMBL3834366 0.80 HIF1A (0.50) HIF1ACCR3ACHEKDM4EPPARG
SCHEMBL18252783 0.78 HIF1A (0.51) HIF1ACCR3NPSR1ACHEKDM4E
SCHEMBL27983247 0.73 CCR3 (0.54) HIF1ACCR3ACHEKDM4EPPARG
SCHEMBL27983483 0.73 CCR3 (0.54) HIF1ACCR3ACHEKDM4EPPARG
SCHEMBL28644365 0.73 ACHE (0.46) HIF1ACCR3ACHEPPARGPPARD
SCHEMBL31376296 0.71 PPARG (0.53) HIF1ACCR3NPSR1ACHEKDM4E
SCHEMBL14032381 0.71 PPARG (0.49) HIF1ACCR3NPSR1ACHEKDM4E
SCHEMBL27983181 0.71 PPARG (0.53) HIF1ACCR3NPSR1ACHEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0036773-B1 2,3-DIHYDROBENZOFURANS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BECKMAN CORPORATION (US) 1983-02-16 EP disclosed
EP-0036773-A1 2,3-Dihydrobenzofurans, process for their preparation and pharmaceutical compositions containing them SMITHKLINE BECKMAN CORPORATION (US) 1981-09-30 EP disclosed
US-4254140-A USED FOR CARDIOVASCULAR DISORDERS; HYPOTENSIVE AGENT SMITHKLINE CORPORATION (US) 1981-03-03 US disclosed