SCHEMBL4671695

SCHEMBL4671695

CC(C)(C)OC(=O)NC1(C2CC(=O)N(Cc3ccccc3)C2)CCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 4/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.40
NPFFR1 Q9GZQ6 1/20 0.40
NPFFR2 Q9Y5X5 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
SCHEMBL5233534 0.90 ALDH1A1 (0.44) KMT2AL3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL5232248 0.89 ALDH1A1 (0.43) KMT2AL3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL5238965 0.89 ALDH1A1 (0.43) KMT2AL3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL5236800 0.88 ALDH1A1 (0.43) KMT2AL3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL5233429 0.85 ALDH1A1 (0.41) KMT2AL3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL4675629 0.81 KMT2A (0.47) KMT2AL3MBTL1ALDH1A1RAB9ANPFFR1
SCHEMBL6167072 0.79 ALDH1A1 (0.44) KMT2AL3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL34473649 0.77 KMT2A (0.47) KMT2AL3MBTL1ALDH1A1RAB9ANPFFR1
SCHEMBL5235899 0.77 KMT2A (0.41) KMT2AL3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL6865331 0.77 KMT2A (0.60) KMT2AL3MBTL1ALDH1A1TSHRMAPK1

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 5 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
CN-1179155-A Heterocyclic compounds DAIICHI PHARMACEUTICLA CO LTD (JP) 1998-04-15 CN disclosed
EP-0807630-A1 HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed