SCHEMBL6995109

SCHEMBL6995109

O=C=NC(=O)CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 2/20 0.42
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
ALDH1A1 P00352 1/20 0.37
EPHX2 P34913 2/20 0.36
ALOX5 P09917 1/20 0.34
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33

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
SCHEMBL4070647 0.89
SCHEMBL3560172 0.82 KEAP1 (0.46) EPHX1HPGDKMT2AKEAP1NFE2L2
SCHEMBL16029079 0.80 TNKS2 (0.32)
SCHEMBL3575934 0.79 KEAP1 (0.44) EPHX1HPGDKMT2AKEAP1NFE2L2
SCHEMBL10503995 0.78 HPGD (0.37) EPHX1HPGDKMT2AKEAP1NFE2L2
SCHEMBL6165256 0.76 KDM5A (0.44) EPHX1HPGDKMT2A
SCHEMBL13190512 0.76 EPHX1 (0.47) EPHX1HPGDKMT2AKEAP1NFE2L2
SCHEMBL6160740 0.75 KDM5A (0.37) EPHX1HPGDRAB9ANPC1
SCHEMBL7310793 0.74 EPHX1 (0.45) EPHX1HPGDKMT2AKEAP1NFE2L2
SCHEMBL7309685 0.74 EPHX1 (0.45) EPHX1HPGDKMT2AKEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874809-B1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 EP disclosed
US-6239175-B1 Carbamoyloxy derivatives of mutiline and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-29 US disclosed
US-6020368-A MICROBIOCIDES HINKS JEREMY DAVID (US) 2000-02-01 US disclosed
CN-1214039-A Carbamoyloxy derivatives of mutiline and their use as antibacterials SMITHKLINE BEECHAM PLC (GB) 1999-04-14 CN disclosed
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
US-4282212-A Immune-stimulating 1-(N-acylcarbamoyl)-2-cyanoaziridines BOEHRINGER MANNHEIM GMBH (DE) 1981-08-04 US disclosed