SCHEMBL2616337

SCHEMBL2616337

CCC(C)(C)CC(=O)OC(C)(C)CC

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL16744314 0.84 DGAT1 (0.33) TDP1
SCHEMBL22005680 0.84 TSHR (0.34) ALDH1A1TSHRTDP1
SCHEMBL27536811 0.82 MMP8 (0.34)
SCHEMBL10304756 0.78 ALDH1A1 (0.32) ALDH1A1TSHRTDP1
SCHEMBL28347738 0.78 ALDH1A1 (0.32) ALDH1A1TSHRTDP1
SCHEMBL12873376 0.78 ALDH1A1 (0.32) ALDH1A1TSHRTDP1
SCHEMBL142215 0.78 TSHR (0.39) ALDH1A1TSHRTDP1
SCHEMBL620517 0.78 GAA (0.42) ALDH1A1TSHRTDP1
SCHEMBL2380925 0.78 ALDH1A1 (0.39) ALDH1A1TSHRTDP1
SCHEMBL12238939 0.78

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-8163269-B2 Bioactive stents for type II diabetics and methods for use thereof MEDIVAS, LLC 2012-04-24 US disclosed