SCHEMBL18906014

SCHEMBL18906014

CC(C)(CO)COc1ccoc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 6/20 0.36
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
TRPM8 Q7Z2W7 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
SCHEMBL29235915 0.73 ALDH1A1 (0.48) NUDT1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3881111 0.72 CYP2C9 (0.46) NUDT1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL14088925 0.70 SMN1; SMN2 (0.53) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7931587 0.70 ALDH1A1 (0.46) NUDT1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL13723134 0.70 TDP1 (0.50) NUDT1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL23202421 0.70 NUDT1 (0.38) NUDT1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL826990 0.70
Boric Acid SCHEMBL29205040 0.69 ALDH1A1 (0.44) NUDT1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL6069172 0.69 ALDH1A1 (0.44) NUDT1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL8653291 0.69

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed