SCHEMBL8986541

SCHEMBL8986541

CC(C)(C)c1cccc(-n2cc3ccccc3n2)c1O.CC(C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.38
▸ CA2 P00918 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.36
▸ RBP4 P02753 2/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.33
▸ GCG P01275 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ F2R P25116 1/20 0.33
▸ PRNP P04156 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL8024417 0.83 CA2 (0.41) ATMCA2NPSR1RBP4GABRA1
SCHEMBL8986575 0.76 MEN1 (0.40) ESR2KDM4EGAACASP1CASP7
SCHEMBL13376130 0.75 TSHR (0.39) ATMCA2ESR2GAAKMT2A
SCHEMBL8034190 0.74 GAA (0.41) GAAKMT2AGCGALDH1A1F2R
Acetic Acid SCHEMBL2229999 0.73 CA2 (0.44) ATMCA2NPSR1RBP4GABRA1
SCHEMBL29501855 0.70 CA2 (0.52) ATMCA2NPSR1RBP4GABRA1
SCHEMBL424271 0.70 CA2 (0.52) ATMCA2NPSR1RBP4GABRA1
Propionic Acid SCHEMBL5630265 0.70 CA2 (0.41) ATMCA2NPSR1RBP4GABRA1
SCHEMBL8855668 0.70 ESR2 (0.37) ESR2KMT2AGCGALDH1A1
SCHEMBL17790101 0.68 ADORA1 (0.45) NPSR1ESR2GAAKMT2APARP1

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
EP-0718341-A2 High molecular weight stabilizer compounds for stabilizing polymers GENERAL ELECTRIC COMPANY (US) 1996-06-26 — — EP disclosed
Send feedback