SCHEMBL8649028

SCHEMBL8649028

CC(C)(C)OC(=O)N1CC(C(=O)O)C1.O=C(O)C1CNC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.45
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.42
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40
RECQL P46063 1/20 0.39
EPHX1 P07099 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
NAMPT P43490 1/20 0.39
RORC P51449 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL43159 0.90 NR1H2 (0.53) NR1H2HPGDHSD17B10MEN1ALDH1A1
SCHEMBL25043324 0.86 HPGD (0.47) NR1H2HPGDHSD17B10MEN1ALDH1A1
SCHEMBL28532654 0.83 HPGD (0.44) NR1H2HPGDHSD17B10MEN1ALDH1A1
SCHEMBL20220628 0.83 NR1H2 (0.54) NR1H2HPGDHSD17B10MEN1ALDH1A1
SCHEMBL57263 0.83 NR1H2 (0.54) NR1H2HPGDHSD17B10MEN1ALDH1A1
SCHEMBL89062 0.83 NR1H2 (0.54) NR1H2HPGDHSD17B10MEN1ALDH1A1
SCHEMBL18275033 0.83 HPGD (0.53) NR1H2HPGDHSD17B10MEN1ALDH1A1
Hexane SCHEMBL28403969 0.81 NR1H2 (0.49) NR1H2HPGDHSD17B10MEN1ALDH1A1
Bicarbonate SCHEMBL9225058 0.80 CHRNB2 (0.61) NR1H2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL649983 0.80 CHRNB2 (0.65) NR1H2CHRNB2CHRNA4CHRNB4CHRNA3

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-0874809-A1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1998-11-04 EP disclosed
WO-1997025309-A1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1997-07-17 WO disclosed