SCHEMBL6920155

SCHEMBL6920155

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 3/20 0.39
PRKAG1 P54619 3/20 0.39
PRKAA2 P54646 3/20 0.39
PRKAA1 Q13131 3/20 0.39
PRKAG3 Q9UGI9 3/20 0.39
PRKAG2 Q9UGJ0 3/20 0.39
PRKAB1 Q9Y478 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LTK P29376 1/20 0.39
CDK8 P49336 1/20 0.39
MAP2K1 Q02750 1/20 0.39
ROCK1 Q13464 1/20 0.39
NTRK3 Q16288 1/20 0.39
NTRK2 Q16620 1/20 0.39
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADRB3 P13945 2/20 0.36
ADRA1A P35348 2/20 0.36
WNT1 P04628 2/20 0.36

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
SCHEMBL3953836 0.80 FLT3 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17452545 0.71 PRKAG1 (0.68) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL15451777 0.71 KDM4E (0.55) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL31327227 0.70 JAK2 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17321404 0.70 PRKAG1 (0.58) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL18858493 0.68 KDM4E (0.61) NPC1KDM4ESMN1; SMN2FLT3CDK2
SCHEMBL22968741 0.67 LNPEP (0.36)
SCHEMBL4012655 0.67 PRKAG1 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL25343822 0.67 PRKAG1 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4053291 0.66 PRKAB2 (0.34) 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
WO-2004085431-A1 PROSTAGLANDIN ANALOGS AS EP4 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD. (CA) 2004-10-07 WO disclosed