SCHEMBL8343341

SCHEMBL8343341

O=C(NN1CCCC1CO)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
EPHX2 P34913 2/20 0.36
PDK2 Q15119 1/20 0.33
DPP4 P27487 2/20 0.33
DPP8 Q6V1X1 1/20 0.33
CNR2 P34972 1/20 0.32
CCNE2 O96020 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGS2 P35354 2/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL8585019 0.77 POLB (0.47) POLBL3MBTL1BRD4BRD2EPHX2
SCHEMBL13458799 0.77 L3MBTL1 (0.50) POLBL3MBTL1BRD4BRD2DPP4
SCHEMBL18978685 0.73 DPP4 (0.41) DPP4DPP8
SCHEMBL31323490 0.73 POLB (0.41) POLBL3MBTL1BRD4BRD2MEN1
SCHEMBL5350664 0.72 AKR1C3 (0.38) POLBEPHX2PDK2MEN1KMT2A
SCHEMBL5350661 0.72 AKR1C3 (0.38) POLBEPHX2PDK2MEN1KMT2A
SCHEMBL5350659 0.72 AKR1C3 (0.38) POLBEPHX2PDK2MEN1KMT2A
SCHEMBL564317 0.71 POLB (0.63) POLBL3MBTL1EPHX2PDK2DPP4
SCHEMBL764061 0.71 POLB (0.63) POLBL3MBTL1EPHX2PDK2DPP4
SCHEMBL31206603 0.71 POLB (0.63) POLBL3MBTL1EPHX2PDK2DPP4

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-1999012034-A1 AMINE COMPOUNDS AND COMBINATORIAL LIBRARIES COMPRISING SAME ISIS PHARMACEUTICALS, INC. (US) 1999-03-11 WO disclosed