SCHEMBL7989480

SCHEMBL7989480

CC(C)(C)OC(=O)N1CCC(CNC(=O)C=CC2=Cc3cnc4cccc(n34)S2)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
NAMPT P43490 1/20 0.40
TGFBR1 P36897 12/20 0.39
TP53 P04637 1/20 0.37
BRD4 O60885 1/20 0.37
GPR119 Q8TDV5 1/20 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
SCHEMBL7989477 1.00 KDM4E (0.47) KDM4EPKMNAMPTTGFBR1TP53
SCHEMBL7983171 0.88 FAAH (0.40) KDM4EPKMNAMPTGPR119
SCHEMBL7983168 0.88 FAAH (0.40) KDM4EPKMNAMPTGPR119
SCHEMBL7987858 0.87 TGFBR1 (0.44) KDM4EPKMTGFBR1
SCHEMBL7987855 0.87 TGFBR1 (0.44) KDM4EPKMTGFBR1
SCHEMBL7985595 0.86 GPR119 (0.39) NAMPTGPR119
SCHEMBL7986139 0.86 GPR119 (0.39) NAMPTGPR119
SCHEMBL7981738 0.86 KDM4E (0.55) KDM4EPKMNAMPTTGFBR1TP53
SCHEMBL7973179 0.84 GPR119 (0.39) KDM4EPKMTGFBR1GPR119
SCHEMBL7973184 0.84 GPR119 (0.39) KDM4EPKMTGFBR1GPR119

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
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed