SCHEMBL8558345

SCHEMBL8558345

CCC(c1csc(C)n1)N1CCC(C(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
USP2 O75604 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 6/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NEK2 P51955 1/20 0.35
PLK1 P53350 1/20 0.35
NEK1 Q96PY6 1/20 0.35
GAA P10253 2/20 0.35
TSHR P16473 2/20 0.35
CYP2C19 P33261 1/20 0.34
CYP1A2 P05177 1/20 0.33
SLC5A7 Q9GZV3 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL8557410 0.73 L3MBTL1 (0.51) KDM4EHSD17B10ALDH1A1TSHRCYP2C19
SCHEMBL6994266 0.71 KMT2A (0.53) KDM4EUSP2HSD17B10HPGDNPSR1
SCHEMBL14515118 0.71 OPRM1 (0.41) KDM4EUSP2HSD17B10HPGDNPSR1
SCHEMBL12471496 0.71 SMN1; SMN2 (0.40) KDM4EUSP2HSD17B10HPGDNPSR1
SCHEMBL12471078 0.67 HSD17B10 (0.47) KDM4EUSP2HSD17B10HPGDNPSR1
SCHEMBL13612535 0.66 KDM4E (0.43) KDM4EUSP2HSD17B10HPGDNPSR1
SCHEMBL4453658 0.66 KDM4E (0.39) KDM4EHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL2583252 0.65 ADORA1 (0.46) KDM4EUSP2HSD17B10HPGDNPSR1
SCHEMBL2583255 0.65 ADORA1 (0.46) KDM4EUSP2HSD17B10HPGDNPSR1
SCHEMBL21414346 0.65 KDM4E (0.41) KDM4EUSP2HSD17B10HPGDNPSR1

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