SCHEMBL26501514

SCHEMBL26501514

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 2/20 0.45
TSHR P16473 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
ACLY P53396 1/20 0.33
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32

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
SCHEMBL2524423 0.83 TET2 (0.64) TET2TSHRCYP2D6CYP2C19HIF1A
Methacrylic Acid SCHEMBL18007789 0.82 TET2 (0.57) TET2TSHRCYP2D6CYP2C19HIF1A
SCHEMBL17426460 0.80 TET2 (0.41) TET2TSHRCYP2D6CYP2C19HIF1A
SCHEMBL15074875 0.80 TET2 (0.43) TET2TSHRCYP2D6CYP2C19HIF1A
SCHEMBL19229747 0.77 TET2 (0.39) TET2TSHRCYP2D6CYP2C19HIF1A
SCHEMBL243901 0.74 TSHR (0.43) TET2TSHRCYP2D6CYP2C19HIF1A
SCHEMBL15188653 0.73 TET2 (0.41) TET2TSHRCYP2D6CYP2C19HIF1A
SCHEMBL9458391 0.73 TET2 (0.41) TET2TSHRCYP2D6CYP2C19HIF1A
SCHEMBL28369972 0.73 TET2 (0.41) TET2TSHRCYP2D6CYP2C19HIF1A
SCHEMBL12698738 0.73 TET2 (0.38) TET2TSHRCYP2D6CYP2C19HIF1A

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-20230323151-A1 IMIDE ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES COMPANY 2023-10-12 US disclosed