SCHEMBL21538656

SCHEMBL21538656

CC(C)(CO)COc1ccc(-c2ccc(OC(C)(C)C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
RIPK1 Q13546 1/20 0.38
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NUDT1 P36639 4/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
MAP4K4 O95819 1/20 0.34
DGAT1 O75907 3/20 0.34

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
SCHEMBL16840329 0.79 ALDH1A1 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3881111 0.78 CYP2C9 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL198046 0.77 RIPK1 (0.43) RIPK1CYP3A4SMN1; SMN2NPC1LMNA
SCHEMBL13723134 0.77 TDP1 (0.50) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7931587 0.77 ALDH1A1 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL14088925 0.77 SMN1; SMN2 (0.53) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL14644362 0.76 CYP3A4 (0.58) CYP3A4SMN1; SMN2LMNAPPARGPPARA
SCHEMBL22924646 0.76 NQO1 (0.58) CYP3A4SMN1; SMN2NPC1
SCHEMBL29235915 0.76 ALDH1A1 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL508228 0.74 MAOB (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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-3561009-A1 EASY PEEL COATING COMPOSITION Mitsubishi Gas Chemical Company, Inc. (JP) 2019-10-30 EP disclosed