SCHEMBL4047772

SCHEMBL4047772

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PRKAB2 O43741 2/20 0.32
PRKAG1 P54619 2/20 0.32
PRKAA2 P54646 2/20 0.32
PRKAA1 Q13131 2/20 0.32
PRKAG3 Q9UGI9 2/20 0.32
PRKAG2 Q9UGJ0 2/20 0.32
PRKAB1 Q9Y478 2/20 0.32
LRRK2 Q5S007 1/20 0.31
FLT3 P36888 3/20 0.31
KIT P10721 3/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
HDAC6 Q9UBN7 1/20 0.31
PPARA Q07869 1/20 0.31
PRKACA P17612 1/20 0.31
PRKACG P22612 1/20 0.31
PRKACB P22694 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
SCHEMBL4045882 0.92 PRKAB2 (0.33) DYRK1AKDM4ESMN1; SMN2PRKAB2PRKAG1
SCHEMBL4052829 0.84 SMN1; SMN2 (0.35) DYRK1AKDM4ESMN1; SMN2PRKAB2PRKAG1
SCHEMBL4053291 0.83 PRKAB2 (0.34) DYRK1AKDM4ESMN1; SMN2PRKAB2PRKAG1
SCHEMBL3952164 0.71 FLT3 (0.42) DYRK1AKDM4ESMN1; SMN2PRKAB2PRKAG1
SCHEMBL3951943 0.70 HTR3A (0.33) DYRK1AKDM4ERAB9A
SCHEMBL15451777 0.66 KDM4E (0.55) KDM4ESMN1; SMN2PRKAB2PRKAG1PRKAA2
SCHEMBL6920155 0.63 PRKAB2 (0.39) DYRK1AKDM4ESMN1; SMN2PRKAB2PRKAG1
SCHEMBL3957845 0.62 HTR3A (0.34) DYRK1AKDM4ERAB9AEGLN2
SCHEMBL3953112 0.62 HTR3A (0.34) DYRK1AKDM4ERAB9AEGLN2
SCHEMBL17452545 0.62 PRKAG1 (0.68) 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 6 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 claimed
EP-1771170-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2007-04-11 EP claimed
WO-2006020003-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2006-02-23 WO claimed
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