SCHEMBL14287347

SCHEMBL14287347

CC(C)CCCCCC(C)(C)OCCC(C)(C)O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ACACB O00763 1/20 0.30
ACACA Q13085 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
SCHEMBL20463326 1.00 MEN1 (0.35) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL21116937 0.85 ALDH1A1 (0.36) MEN1CYP3A4ALOX15KMT2AALDH1A1
SCHEMBL21940815 0.84 MEN1 (0.36) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL19230999 0.83
SCHEMBL7701357 0.80 MEN1 (0.44) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL26430859 0.80 ALDH1A1 (0.43) ALDH1A1
SCHEMBL24030724 0.79 SMPD1 (0.39) ALDH1A1
SCHEMBL22902796 0.79 SMPD1 (0.39) ALDH1A1
SCHEMBL20684254 0.79 SMPD1 (0.39) ALDH1A1
SCHEMBL19039340 0.79 SMPD1 (0.39) ALDH1A1

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-20080039816-A1 Carbohydrate-Encapsulated Quantum Dots for Bilogical Imaging The Government of the United States of America as represented by the Secretary, Department of (US) 2008-02-14 US disclosed