SCHEMBL28029862

SCHEMBL28029862

CCC(CC)(CCN)NC(N)=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL11406496 0.85 LMNA (0.33) CYP1A2
SCHEMBL28832185 0.82 LMNA (0.36) ALDH1A1
SCHEMBL5482221 0.79 HRH3 (0.33)
SCHEMBL11412698 0.76 LMNA (0.39) ALDH1A1CYP1A2
SCHEMBL28147606 0.75 TGFBR1 (0.35) ALDH1A1
SCHEMBL28005175 0.75 ALDH1A1 (0.40) MEN1ALDH1A1KMT2A
SCHEMBL25351697 0.74 MEN1 (0.38) MEN1KMT2A
SCHEMBL11407788 0.73 FDPS (0.39) MEN1ALDH1A1CYP1A2KMT2A
SCHEMBL3392434 0.71 ALDH1A1 (0.39) ALDH1A1CYP1A2
SCHEMBL15570555 0.70 LMNA (0.33) CYP1A2THRBKMT2A

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
CN-107567469-A Delayed action gel catalysts composition and the method for preparing polyether polyols 赢创德固赛有限公司 2018-01-09 CN disclosed
CN-103068828-B Triazolopyrazine Derivatives MERCK PATENT GMBH (DE) 2015-09-09 CN disclosed