SCHEMBL15028909

SCHEMBL15028909

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

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
TSHR P16473 2/20 0.35
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL1107368 0.79 GAA (0.44) GAATSHRCYP2D6CYP2C9CYP2C19
SCHEMBL28287215 0.75 GAA (0.41) GAATSHRCYP2D6CYP2C9CYP2C19
SCHEMBL16087960 0.73 GAA (0.39) GAATSHRCYP2D6CYP2C9CYP2C19
SCHEMBL8605101 0.73 GAA (0.39) GAATSHRCYP2D6CYP2C9CYP2C19
SCHEMBL28787477 0.73 GAA (0.39) GAATSHRCYP2D6CYP2C9CYP2C19
Isopropyl Alcohol SCHEMBL29056269 0.72 GAA (0.42) GAATSHRCYP2D6CYP2C19
SCHEMBL28636429 0.71 MAPK1 (0.32)
SCHEMBL7952650 0.70 GAA (0.41) GAATSHRCYP2D6CYP2C9CYP2C19
SCHEMBL10756197 0.70 GAA (0.41) GAATSHRCYP2D6CYP2C9CYP2C19
SCHEMBL9224520 0.70 GAA (0.37) GAATSHRCYP2D6CYP2C9CYP2C19

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
WO-2013086012-A2 PRESSURE SENSITIVE ADHESIVES BASED ON FATTY ACIDS STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 2013-06-13 WO disclosed