SCHEMBL7754398

SCHEMBL7754398

CCCCCCCCC(Cc1ccc(OC)c(OCCc2ccccc2)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 19/20 0.68
PTGES O14684 1/20 0.56
ALOX5 P09917 1/20 0.56
PPARG P37231 1/20 0.56

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
SCHEMBL7755340 1.00 SIGMAR1 (0.68) SIGMAR1PTGESALOX5PPARG
SCHEMBL7750714 1.00 SIGMAR1 (0.68) SIGMAR1PTGESALOX5PPARG
SCHEMBL7750693 0.99 SIGMAR1 (0.67) SIGMAR1PTGESALOX5PPARG
SCHEMBL7753977 0.96 SIGMAR1 (0.67) SIGMAR1PTGESALOX5PPARG
SCHEMBL8439902 0.93 SIGMAR1 (0.66) SIGMAR1PTGESALOX5PPARG
SCHEMBL7755116 0.90 SIGMAR1 (0.58) SIGMAR1PTGESALOX5PPARG
SCHEMBL7753986 0.89 SIGMAR1 (0.64) SIGMAR1PTGESALOX5PPARG
SCHEMBL7753983 0.88 SIGMAR1 (0.65) SIGMAR1PTGESALOX5PPARG
SCHEMBL7755096 0.85 SIGMAR1 (0.58) SIGMAR1PTGESALOX5PPARG
SCHEMBL7754378 0.84 SIGMAR1 (0.52) SIGMAR1PTGESALOX5PPARG

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