SCHEMBL6519752

SCHEMBL6519752

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

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.39
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
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
SCHEMBL6520714 0.82 TET2 (0.36) TET2TDP1
SCHEMBL6523710 0.79 TET2 (0.42) TET2CYP2D6TSHRCYP2C19HIF1A
SCHEMBL6450455 0.79 TET2 (0.42) TET2CYP2D6TSHRCYP2C19HIF1A
SCHEMBL1537801 0.79 TET2 (0.40) TET2CYP2D6TSHRCYP2C19HIF1A
SCHEMBL6518847 0.76 GAA (0.39) TET2TSHRCYP2C19
SCHEMBL6520592 0.74 TET2 (0.34) TET2TDP1
SCHEMBL6516075 0.74 TET2 (0.38) TET2CYP2D6TSHRCYP2C19HIF1A
SCHEMBL6520274 0.74 CES1 (0.40) TSHRCYP2C19HIF1ATDP1
SCHEMBL30467123 0.72 GGPS1 (0.35) TET2TSHRTDP1
SCHEMBL23355960 0.71 TET2 (0.38) TET2CYP2D6TSHRCYP2C19HIF1A

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-6958366-B2 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-10-25 US disclosed