SCHEMBL4675664

SCHEMBL4675664

CC(C)(C)OC(=O)NC1(C(CN)CC(=O)O)CCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.34
ITGA2B P08514 3/20 0.34
CTSL P07711 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
APLNR P35414 1/20 0.32
GABRR1 P24046 2/20 0.32
LMNA P02545 1/20 0.32
CTSK P43235 3/20 0.31
CTSS P25774 2/20 0.31
BTK Q06187 1/20 0.31
CYP2D6 P10635 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
MAPK1 P28482 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
PPARA Q07869 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
SCHEMBL23552042 0.82 CTSL (0.37) ITGB3ITGA2BCTSLMEN1KMT2A
SCHEMBL1965623 0.74 BTK (0.38) CTSLMEN1KMT2AGAAAPLNR
SCHEMBL29395889 0.73 CA1 (0.34) CTSLMEN1KMT2AGAAAPLNR
SCHEMBL13740499 0.71 CA12 (0.37) ITGB3ITGA2BCTSLMEN1KMT2A
SCHEMBL27936021 0.71 CA12 (0.37) ITGB3ITGA2BCTSLMEN1KMT2A
SCHEMBL18878390 0.71 CTSL (0.39) CTSLMEN1KMT2AGAAAPLNR
SCHEMBL16081548 0.70 P2RX7 (0.39) CTSLMEN1KMT2AGAAAPLNR
SCHEMBL18891796 0.70 APLNR (0.39) CTSLMEN1KMT2AGAAAPLNR
SCHEMBL6888034 0.69 MEN1 (0.34) CTSLMEN1KMT2AGAAAPLNR
SCHEMBL4674223 0.69 UGT2B7 (0.40) CTSLMEN1KMT2ACTSKCYP2D6

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