SCHEMBL28817540

SCHEMBL28817540

CC(C)(C)OC(=O)N(c1cccnc1)C(CCC(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.37
TBXAS1 P24557 10/20 0.37
CYP3A4 P08684 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGIR P43119 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL7156656 0.81 HTT (0.39) HTTRAB9ATBXAS1CYP3A4MEN1
SCHEMBL1116491 0.81 HTT (0.39) HTTRAB9ATBXAS1CYP3A4MEN1
SCHEMBL31048871 0.81 HTT (0.39) HTTRAB9ATBXAS1CYP3A4MEN1
SCHEMBL28471297 0.74 MMP2 (0.41) RAB9A
SCHEMBL2230081 0.73 TBXAS1 (0.42) TBXAS1
SCHEMBL9571667 0.73 RAB9A (0.45) HTTRAB9ACYP3A4KMT2A
SCHEMBL7645503 0.72 TBXAS1 (0.40) HTTTBXAS1HDAC6
SCHEMBL27751076 0.72 SMN1; SMN2 (0.39) RAB9ACYP3A4MEN1KMT2A
SCHEMBL1529415 0.72 PTGIR (0.49) HTTRAB9APTGIR
SCHEMBL25178693 0.72 CYP3A4 (0.44) TBXAS1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102712595-B Novel compositions for reducing A beta 42 production and their use in treating alzheimer's disease (AD) KAREUS THERAPEUTTICS SA 2015-04-22 CN disclosed