SCHEMBL4045882

SCHEMBL4045882

CCC(C)(C)C(=O)CCOc1ccc2c(C(OP(=O)(O)O)=C(C)C)n[nH]c2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 2/20 0.33
PRKAG1 P54619 2/20 0.33
PRKAA2 P54646 2/20 0.33
PRKAA1 Q13131 2/20 0.33
PRKAG3 Q9UGI9 2/20 0.33
PRKAG2 Q9UGJ0 2/20 0.33
PRKAB1 Q9Y478 2/20 0.33
DYRK1A Q13627 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KIT P10721 5/20 0.32
FLT3 P36888 4/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PPARA Q07869 1/20 0.32
GSK3B P49841 1/20 0.31
TTK P33981 1/20 0.31
MAPK8 P45983 1/20 0.31
STK25 O00506 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
SCHEMBL4047772 0.92 DYRK1A (0.33) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4053291 0.92 PRKAB2 (0.34) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4052829 0.83 SMN1; SMN2 (0.35) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3952164 0.69 FLT3 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3953112 0.67 HTR3A (0.34) DYRK1AKDM4ERAB9A
SCHEMBL15451777 0.65 KDM4E (0.55) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6920155 0.64 PRKAB2 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17452545 0.64 PRKAG1 (0.68) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL31327227 0.62 JAK2 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3951943 0.61 HTR3A (0.33) DYRK1AKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771170-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2009-07-08 EP disclosed
EP-1771170-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2007-04-11 EP disclosed
WO-2006020003-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2006-02-23 WO disclosed