SCHEMBL4052829

SCHEMBL4052829

COP(=O)(OC)OC(=C(C)C)c1n[nH]c2cc(OCCC(=O)C(C)(C)C)ccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
DYRK1A Q13627 1/20 0.35
PRKAG1 P54619 3/20 0.34
PRKAA1 Q13131 3/20 0.34
PRKAB1 Q9Y478 3/20 0.34
PRKAB2 O43741 2/20 0.34
PRKAA2 P54646 2/20 0.34
PRKAG3 Q9UGI9 2/20 0.34
PRKAG2 Q9UGJ0 2/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
FLT3 P36888 5/20 0.33
KIT P10721 4/20 0.33
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CDK2 P24941 1/20 0.32

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
SCHEMBL4053291 0.91 PRKAB2 (0.34) SMN1; SMN2KDM4EDYRK1APRKAG1PRKAA1
SCHEMBL4047772 0.84 DYRK1A (0.33) SMN1; SMN2KDM4EDYRK1APRKAG1PRKAA1
SCHEMBL4045882 0.83 PRKAB2 (0.33) SMN1; SMN2KDM4EDYRK1APRKAG1PRKAA1
SCHEMBL3952164 0.81 FLT3 (0.42) SMN1; SMN2KDM4EDYRK1APRKAG1PRKAA1
SCHEMBL3947556 0.67 SSTR5 (0.40) KDM4EDYRK1ANPC1RAB9A
SCHEMBL15451777 0.67 KDM4E (0.55) SMN1; SMN2KDM4EPRKAG1PRKAA1PRKAB1
SCHEMBL4012655 0.66 PRKAG1 (0.48) SMN1; SMN2KDM4EDYRK1APRKAG1PRKAA1
SCHEMBL6920155 0.66 PRKAB2 (0.39) SMN1; SMN2KDM4EDYRK1APRKAG1PRKAA1
SCHEMBL17452545 0.65 PRKAG1 (0.68) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL3949421 0.64 FLT3 (0.39) SMN1; SMN2KDM4EDYRK1APRKAG1PRKAA1

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