SCHEMBL7849653

SCHEMBL7849653

CC(C)(C)OC(=O)N[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.56
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
USP30 Q70CQ3 1/20 0.44
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CTSK P43235 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 1/20 0.43
CTSL P07711 1/20 0.42
SYK P43405 1/20 0.42
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RORC P51449 3/20 0.41
PARP1 P09874 1/20 0.40

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
SCHEMBL7849654 1.00 PDE4B (0.56) PDE4BPDK1PDK2PDK3PDK4
SCHEMBL7849655 1.00 PDE4B (0.56) PDE4BPDK1PDK2PDK3PDK4
SCHEMBL14801527 0.92 USP30 (0.48) PDE4BPDK1PDK2PDK3PDK4
SCHEMBL14801528 0.92 USP30 (0.48) PDE4BPDK1PDK2PDK3PDK4
SCHEMBL14801708 0.92 USP30 (0.48) PDE4BPDK1PDK2PDK3PDK4
SCHEMBL12426644 0.90 PDE4B (0.57) PDE4BPDK1PDK2PDK3PDK4
SCHEMBL2182997 0.90 PDE4B (0.57) PDE4BPDK1PDK2PDK3PDK4
SCHEMBL16727951 0.88 PDE4B (0.57) PDE4BPDK1PDK2PDK3PDK4
SCHEMBL14704987 0.88 PDE4B (0.57) PDE4BPDK1PDK2PDK3PDK4
SCHEMBL13568021 0.88 PDE4B (0.57) PDE4BPDK1PDK2PDK3PDK4

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-0726269-B1 QUINOLINECARBOXYLIC ACID DERIVATIVES AND SALTS THEREOF KAKEN PHARMA CO LTD (JP) 2001-09-05 EP disclosed
US-5668147-A ANTIBIOTICS, BACTERICIDES KAKEN PHARMACEUTICAL CO., LTD. (JP) 1997-09-16 US disclosed
EP-0726269-A1 QUINOLINECARBOXYLIC ACID DERIVATIVE AND SALT THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 1996-08-14 EP disclosed