SCHEMBL8563199

SCHEMBL8563199

CC(C)(C)OC(=O)C(C)(CN)N1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.36
DGAT1 O75907 1/20 0.34
HPGD P15428 1/20 0.34
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PREP P48147 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31

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
SCHEMBL18921418 0.72 CTSK (0.42) CTSKDGAT1HPGDUSP2SMN1; SMN2
SCHEMBL4948386 0.70 DGAT1 (0.41) CTSKDGAT1HPGDUSP2SMN1; SMN2
SCHEMBL2433463 0.70 DGAT1 (0.36) CTSKDGAT1HPGDUSP2SMN1; SMN2
SCHEMBL28750768 0.70 DGAT1 (0.36) CTSKDGAT1HPGDUSP2SMN1; SMN2
SCHEMBL3163754 0.69 HPGD (0.38) CTSKDGAT1HPGDUSP2SMN1; SMN2
SCHEMBL2433990 0.69 DGAT1 (0.35) CTSKDGAT1HPGDUSP2SMN1; SMN2
SCHEMBL10760132 0.68 DGAT1 (0.34) CTSKDGAT1HPGDUSP2SMN1; SMN2
SCHEMBL72410 0.68 DGAT1 (0.38) CTSKDGAT1HPGDUSP2SMN1; SMN2
SCHEMBL12503127 0.68 DGAT1 (0.44) DGAT1USP2SMN1; SMN2
SCHEMBL8487930 0.67 DGAT1 (0.40) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0559752-B1 OPTICAL ISOMERS OF 7- 3-(1,1-DIALKYLMETHYL-1-AMINO-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 1998-01-28 EP disclosed
US-5157128-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1992-10-20 US disclosed