SCHEMBL1901394

SCHEMBL1901394

CC(C)COC(=O)N(C)CCn1cc(B2OC(C)(C)C(C)(C)O2)cn1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
PDK2 Q15119 1/20 0.33
USP30 Q70CQ3 1/20 0.32
ELANE P08246 1/20 0.31
DGAT1 O75907 1/20 0.31
AAK1 Q2M2I8 2/20 0.31
UCHL1 P09936 1/20 0.31

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
SCHEMBL22092724 0.84 FFAR1 (0.46) FFAR1PDK2DGAT1UCHL1
SCHEMBL17785673 0.81 FFAR1 (0.54) FFAR1PDK2DGAT1UCHL1
SCHEMBL29663427 0.78 FFAR1 (0.57) FFAR1PDK2USP30DGAT1
SCHEMBL1853942 0.77 FFAR1 (0.57) FFAR1PDK2
SCHEMBL1872577 0.77 FFAR1 (0.57) FFAR1PDK2
SCHEMBL381301 0.77 FFAR1 (0.46) FFAR1USP30DGAT1AAK1UCHL1
SCHEMBL29663140 0.76 FFAR1 (0.49) FFAR1PDK2USP30DGAT1
SCHEMBL29663127 0.76 FFAR1 (0.49) FFAR1PDK2USP30DGAT1
SCHEMBL25826382 0.76 FFAR1 (0.46) FFAR1PDK2USP30DGAT1AAK1
SCHEMBL520617 0.74 FFAR1 (0.57) FFAR1AAK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2496558-A1 THETRAHYDROQUINOLINES DERIVATIVES AS BROMODOMAIN INHIBITORS GlaxoSmithKline LLC (US) 2012-09-12 EP disclosed
WO-2011054848-A1 THETRAHYDROQUINOLINES DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed