SCHEMBL6132776

SCHEMBL6132776

COCCCCCCSC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 2/20 0.43
RECQL P46063 1/20 0.42
EPHX1 P07099 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1100009 0.95 HPGD (0.46) GPR119HPGDALDH1A1RECQLEPHX1
SCHEMBL6132369 0.85 HPGD (0.45) GPR119HPGDALDH1A1RECQLEPHX1
SCHEMBL4552184 0.85 HPGD (0.47) GPR119HPGDRECQLEPHX1KEAP1
SCHEMBL6132348 0.81 HPGD (0.46) GPR119HPGDALDH1A1RECQLEPHX1
SCHEMBL408276 0.80 HPGD (0.50) GPR119HPGDALDH1A1RECQLEPHX1
SCHEMBL6135373 0.80 GPR119 (0.50) GPR119HPGDALDH1A1RECQLEPHX1
SCHEMBL6132702 0.80 HPGD (0.47) GPR119HPGDRECQLEPHX1KDM4E
SCHEMBL27633297 0.77 HPGD (0.53) GPR119HPGDALDH1A1RECQLEPHX1
SCHEMBL2770843 0.77 HPGD (0.53) GPR119HPGDALDH1A1RECQLEPHX1
SCHEMBL6132665 0.77 HPGD (0.47) GPR119HPGDALDH1A1RECQLEPHX1

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