SCHEMBL7755322

SCHEMBL7755322

CCC(Cc1ccc(OC)c(OCCc2ccccc2)c1)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.78
PPARD Q03181 2/20 0.78
PPARG P37231 5/20 0.70
PTGES O14684 1/20 0.70
ALOX5 P09917 1/20 0.70
SIGMAR1 Q99720 13/20 0.63

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
SCHEMBL7755069 0.90 PPARA (0.64) PPARAPPARDPPARGPTGESALOX5
SCHEMBL28611663 0.88 PPARA (0.64) PPARAPPARDPPARGPTGESALOX5
SCHEMBL7756694 0.88 PPARG (0.84) PPARAPPARDPPARGPTGESALOX5
SCHEMBL3948697 0.88 PPARA (1.00) PPARAPPARDPPARGPTGESALOX5
SCHEMBL6384483 0.88 LDHA (0.69) PPARAPPARDPPARGPTGESALOX5
SCHEMBL7750763 0.86 PPARG (0.62) PPARAPPARDPPARGPTGESALOX5
SCHEMBL6536590 0.82 SIGMAR1 (0.61) SIGMAR1
SCHEMBL7755352 0.81 PPARG (0.69) PPARGPTGESALOX5SIGMAR1
SCHEMBL8730455 0.80 SIGMAR1 (0.62) SIGMAR1
SCHEMBL8730539 0.79 SIGMAR1 (0.53) PPARAPPARDPPARGPTGESALOX5

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