SCHEMBL14632129

SCHEMBL14632129

CC(=O)C(ONC(C)C)C(C)C

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 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
SCHEMBL14600018 0.81
SCHEMBL14632180 0.80 SMN1; SMN2 (0.31) SMN1; SMN2TSHRALDH1A1MMP1MMP2
SCHEMBL942458 0.73 CYP2D6 (0.37) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL13611203 0.70
SCHEMBL15116682 0.70
SCHEMBL13554083 0.69 TSHR (0.39) TSHRMMP1MMP2MMP3MMP9
SCHEMBL17660671 0.69 TSHR (0.39) TSHRMMP1MMP2MMP3MMP9
SCHEMBL8847013 0.65
SCHEMBL29042284 0.65 LMNA (0.40) TSHRMMP1MMP2MMP3MMP9
SCHEMBL29042285 0.65 LMNA (0.40) TSHRMMP1MMP2MMP3MMP9

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-7169814-B2 Guanidinium transport reagents and conjugates THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2007-01-30 US disclosed