SCHEMBL12759058

SCHEMBL12759058

CCCOCCOCC(N)(COCCC)COCCC

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.30
THRB P10828 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPT P10636 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
SCHEMBL12759222 0.95 HSD17B10 (0.35) HSD17B10
SCHEMBL10106991 0.90 ALDH1A1 (0.35) HSD17B10
SCHEMBL12141358 0.84 ALDH1A1 (0.34)
SCHEMBL12759069 0.84 ALDH1A1 (0.34)
SCHEMBL12759071 0.81
SCHEMBL15375170 0.79 TSHR (0.44) MEN1THRBHTTKMT2AMAPT
SCHEMBL469014 0.78 ALDH1A1 (0.37) HSD17B10
SCHEMBL12760550 0.78 ALDH1A1 (0.37) HSD17B10
SCHEMBL12240798 0.78 THRB (0.36) HSD17B10MEN1THRBHTTKMT2A
SCHEMBL9183077 0.76 HSD17B10 (0.45) HSD17B10MEN1THRBHTTKMT2A

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-7932326-B2 Chelating compounds and immobilized tethered chelators THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-04-26 US disclosed