SCHEMBL10811751

SCHEMBL10811751

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.33
GRIK1 P39086 1/20 0.32
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 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
SCHEMBL5038779 0.79 TET2 (0.37) TET2GRIK1HMGCRCHRM1TBXA2R
SCHEMBL4804997 0.71 HMGCR (0.52) TET2HMGCRCHRM1TBXA2RADRA1A
SCHEMBL7861423 0.70 TSHR (0.31) TSHR
SCHEMBL7861420 0.70 TSHR (0.31) TSHR
SCHEMBL6803519 0.68 TET2 (0.56) TET2GRIK1HMGCRCHRM1TBXA2R
SCHEMBL8977504 0.68 FFAR1 (0.44) GRIK1CYP2D6CYP2C19
SCHEMBL12630571 0.68
Bicarbonate SCHEMBL10646474 0.67 TSHR (0.39) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL56816 0.67 HMGCR (0.32) TET2HMGCRCHRM1TBXA2RADRA1A
SCHEMBL944496 0.66

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-4668417-A Electroviscous fluids BAYER AKTIENGESELLSCHAFT (DE) 1987-05-26 US disclosed