SCHEMBL9684259

SCHEMBL9684259

CCOCCOc1ccc(C[C@@H](C)N[C@@H](O)CCOc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.54
SIGMAR1 Q99720 2/20 0.48
SLC2A1 P11166 4/20 0.46
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL10636768 0.79 ACACB (0.64) ACACB
SCHEMBL10636765 0.79 ACACB (0.64) ACACB
SCHEMBL9811917 0.78 SIGMAR1 (0.54) SIGMAR1SLC2A1PPARGPPARDPPARA
SCHEMBL9782119 0.77 ACACB (0.72) ACACB
SCHEMBL10636528 0.77 ACACB (0.50) ACACBSIGMAR1SLC2A1PPARGPPARD
SCHEMBL10772481 0.76 SIGMAR1 (0.65) ACACBSIGMAR1SLC2A1PPARGPPARD
SCHEMBL9492053 0.74 ADRB3 (0.50) ACACBSIGMAR1SLC2A1POLBMEN1
SCHEMBL8881007 0.74 ACACB (0.58) ACACBSIGMAR1SLC2A1POLBALDH1A1
SCHEMBL9787803 0.74 ACACB (0.63) ACACBALDH1A1MEN1KMT2ATAAR1
SCHEMBL215246 0.73 KCNA3 (0.58) ALDH1A1MEN1KMT2ATAAR1SMN1; SMN2

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
US-5064863-A Catabolic activity, obesity, diabetes HOFFMANN-LA ROCHE INC. (US) 1991-11-12 US claimed
EP-0140243-B1 PHENOXYPROPANOL AMINES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-11-09 EP claimed
US-5166218-A Antilipemic agents or antiglycemic agents HOFFMANN-LA ROCHE INC. (US) 1992-11-24 US disclosed
US-5064863-A Catabolic activity, obesity, diabetes HOFFMANN-LA ROCHE INC. (US) 1991-11-12 US disclosed