SCHEMBL4671202

SCHEMBL4671202

CC(C)(C)OC(=O)C12CCC1CN(C(=O)OCc1ccccc1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP2C19 P33261 1/20 0.44
RORC P51449 2/20 0.43
HTT P42858 1/20 0.43
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PDE4B Q07343 1/20 0.41
PARP1 P09874 1/20 0.40
AGTR2 P50052 1/20 0.40
HTR2C P28335 1/20 0.40
GRIN2B Q13224 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38

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
SCHEMBL4749798 0.87 MEN1 (0.45) SMN1; SMN2NPC1RAB9ACYP2C19RORC
SCHEMBL2670272 0.87 MEN1 (0.45) SMN1; SMN2NPC1RAB9ACYP2C19RORC
SCHEMBL4671023 0.87 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19RORC
SCHEMBL2670402 0.86 RORC (0.42) SMN1; SMN2NPC1RAB9ACYP2C19RORC
SCHEMBL2670187 0.86 RORC (0.42) SMN1; SMN2NPC1RAB9ACYP2C19RORC
SCHEMBL4671822 0.85 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19RORC
SCHEMBL2670295 0.82 RORC (0.43) SMN1; SMN2NPC1RAB9ACYP2C19RORC
SCHEMBL2670258 0.82 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19RORC
SCHEMBL2670255 0.82 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19RORC
SCHEMBL14405539 0.82 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19RORC

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1304329-B1 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI SANKYO CO LTD (JP) 2008-10-15 EP disclosed
EP-1304329-A2 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-23 EP disclosed
US-5849757-A Pyridonecarboxylic acid derivatives substituted by a bicyclic amino group as antibacterials DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-12-15 US disclosed
EP-0807630-A1 HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed