SCHEMBL6132369

SCHEMBL6132369

CC(C)(C)OC(=O)N1CCC(SCCCCCCBr)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
RECQL P46063 1/20 0.43
EPHX1 P07099 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
GPR119 Q8TDV5 7/20 0.42
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GLS O94925 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
SCHEMBL4552184 0.86 HPGD (0.47) HPGDRECQLEPHX1KEAP1NFE2L2
SCHEMBL6132776 0.85 GPR119 (0.44) HPGDRECQLEPHX1KEAP1NFE2L2
SCHEMBL1100009 0.82 HPGD (0.46) HPGDRECQLEPHX1KEAP1NFE2L2
SCHEMBL7692137 0.82 GPR119 (0.58) HPGDKDM4EPKMGPR119GLS
SCHEMBL7420864 0.82 GPR119 (0.58) HPGDKDM4EPKMGPR119GLS
SCHEMBL408276 0.81 HPGD (0.50) HPGDRECQLEPHX1KEAP1NFE2L2
SCHEMBL949101 0.80 GPR119 (0.56) HPGDRECQLEPHX1KDM4EPKM
SCHEMBL561013 0.79 GPR119 (0.54) HPGDRECQLEPHX1KDM4EPKM
SCHEMBL6132494 0.78 GPR119 (0.47) HPGDRECQLEPHX1KDM4EPKM
SCHEMBL30750595 0.78 GPR119 (0.47) HPGDRECQLEPHX1KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed
EP-1173472-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-23 EP disclosed
WO-2000064927-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 WO disclosed