SCHEMBL7755352

SCHEMBL7755352

CCCCCC(Cc1ccc(OC)c(OCCc2ccccc2)c1)C(=O)OCC

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.69
PTGES O14684 1/20 0.69
ALOX5 P09917 1/20 0.69
SIGMAR1 Q99720 17/20 0.67

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
SCHEMBL7756694 0.91 PPARG (0.84) PPARGPTGESALOX5SIGMAR1
SCHEMBL7755069 0.89 PPARA (0.64) PPARGPTGESALOX5SIGMAR1
SCHEMBL9008064 0.83 LDHA (0.54) PPARGPTGESALOX5SIGMAR1
SCHEMBL7755322 0.81 PPARA (0.78) PPARGPTGESALOX5SIGMAR1
SCHEMBL7750693 0.79 SIGMAR1 (0.67) PPARGPTGESALOX5SIGMAR1
SCHEMBL7755340 0.79 SIGMAR1 (0.68) PPARGPTGESALOX5SIGMAR1
SCHEMBL7754398 0.79 SIGMAR1 (0.68) PPARGPTGESALOX5SIGMAR1
SCHEMBL7750714 0.79 SIGMAR1 (0.68) PPARGPTGESALOX5SIGMAR1
SCHEMBL6384483 0.78 LDHA (0.69) PPARGPTGESALOX5SIGMAR1
SCHEMBL6536590 0.77 SIGMAR1 (0.61) SIGMAR1

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-0870758-B1 OPTICALLY ACTIVE SUBSTITUTED PHENYLALKYLAMINE DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2001-02-21 EP disclosed
US-5990151-A SIGMA 1 RECEPTOR ANTAGOISTS; PSCHOLOGICAL DISORDERS; BRAIN DISORDERS; SCHIZOPHRENIA; ANTIDEPRESSANTS; ANXIOLYTIC AGENTS; ALZHEIMER'S DISEASE; COGNITION ACTIVATORS; HUNTINGTON'S DISEASE; DRUG ABUSE; SIDE EFFECT REDUCTION TAISHO PHARMACEUTICAL CO., LTD. (JP) 1999-11-23 US disclosed
EP-0870758-A1 OPTICALLY ACTIVE SUBSTITUTED PHENYLALKYLAMINE DERIVATIVES TAISHO PHARMACEUTICAL CO. LTD (JP) 1998-10-14 EP disclosed