SCHEMBL9744003

SCHEMBL9744003

CCCCC(C(=O)O)C(=O)OC(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.32
GAA P10253 2/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
XBP1 P17861 1/20 0.30
ATM Q13315 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALOX5 P09917 2/20 0.30
PTGES O14684 1/20 0.30
PTGS2 P35354 1/20 0.30
PSEN1 P49768 1/20 0.30

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
SCHEMBL9743047 0.88 GAA (0.33) GAAPKMHTTXBP1ATM
SCHEMBL25630 0.87 GAA (0.33) GAAPKMHTTXBP1ATM
SCHEMBL8024776 0.86 NR5A2 (0.33) GAAPKMHTTXBP1ATM
SCHEMBL5795097 0.83 GAA (0.34) GAAPKMHTTXBP1ATM
SCHEMBL2483026 0.77 GAA (0.32) GAAPKMHTTXBP1ATM
SCHEMBL9589848 0.71 GAA (0.33) GAAPKMHTT
SCHEMBL9589852 0.71 GAA (0.35) GAAPKMHTTATMNPSR1
SCHEMBL9588919 0.70 TSHR (0.43) GAAPKMHTT
SCHEMBL1160080 0.70 GAA (0.34) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL9589869 0.69 GAA (0.32) GAAPKMHTTATMNPSR1

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-5096950-A N-alkoxypiperidines CIBA-GEIGY CORPORATION (US) 1992-03-17 US claimed
US-5004770-A Light, heat, and oxygen resistant CIBA-GEIGY CORPORATION (US) 1991-04-02 US claimed
US-5096950-A N-alkoxypiperidines CIBA-GEIGY CORPORATION (US) 1992-03-17 US disclosed
US-5004770-A Light, heat, and oxygen resistant CIBA-GEIGY CORPORATION (US) 1991-04-02 US disclosed