SCHEMBL18699237

SCHEMBL18699237

CCC(C(C)C)n1cnnn1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NOTUM Q6P988 1/20 0.32

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
SCHEMBL13090818 0.78
SCHEMBL3587455 0.71 CYP19A1 (0.37) NOTUM
SCHEMBL4454073 0.69
SCHEMBL9596326 0.69
SCHEMBL24027141 0.64 ALDH1A1 (0.50) GAAALDH1A1MEN1KMT2ANOTUM
SCHEMBL28691021 0.62 GAA (0.40) GAAALDH1A1NOTUM
SCHEMBL29957128 0.62 GAA (0.40) GAAALDH1A1NOTUM
SCHEMBL7563172 0.62 HRH1 (0.34) MEN1KMT2A
SCHEMBL4685599 0.62
SCHEMBL18812115 0.61 DPP4 (0.32)

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
US-9611213-B2 Functionalized 1,3-benzene diols and their method of use for the treatment of hepatic encephalopathy KANNALIFE SCIENCES, INC. (US) 2017-04-04 US disclosed