SCHEMBL8202702

SCHEMBL8202702

CCCN(CCC)C(Cc1cccc(F)c1OCCc1ccccc1)OC(=O)C(=O)OC(Cc1cccc(F)c1OCCc1ccccc1)N(CCC)CCC

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.47
ALOX5 P09917 1/20 0.47
PPARG P37231 1/20 0.47
SIGMAR1 Q99720 3/20 0.41

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
SCHEMBL8728767 0.87 PTGES (0.53) PTGESALOX5PPARGSIGMAR1
SCHEMBL9074720 0.84 SIGMAR1 (0.50) PTGESALOX5PPARGSIGMAR1
SCHEMBL8198510 0.83 PTGES (0.51) PTGESALOX5PPARG
SCHEMBL9077324 0.80 SIGMAR1 (0.42) PTGESALOX5PPARGSIGMAR1
SCHEMBL9077423 0.80 SIGMAR1 (0.42) PTGESALOX5PPARGSIGMAR1
SCHEMBL8198059 0.79 PTGES (0.51) PTGESALOX5PPARGSIGMAR1
Oxalic Acid SCHEMBL8202699 0.78
SCHEMBL8197987 0.77 SIGMAR1 (0.50) PTGESALOX5PPARGSIGMAR1
SCHEMBL8197915 0.77 SIGMAR1 (0.50) PTGESALOX5PPARGSIGMAR1
SCHEMBL9077677 0.76 BCHE (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0717990-B1 COMPOSITION FOR REMEDYING DRUG DEPENDENCE TAISHO PHARMACEUTICAL CO LTD (JP) 2000-05-24 EP disclosed
EP-0717990-A1 COMPOSITION FOR REMEDYING DRUG DEPENDENCE TAISHO PHARMACEUTICAL CO. LTD (JP) 1996-06-26 EP disclosed
US-5495046-A PSYCHOLOGICAL DISORDERS TAISHO PHARMACEUTICAL CO., LTD. (JP) 1996-02-27 US disclosed
EP-0641766-A1 ALKOXYPHENYLALKYLAMINE DERIVATIVE TAISHO PHARMACEUTICAL CO. LTD (JP) 1995-03-08 EP disclosed