SCHEMBL6569157

SCHEMBL6569157

C[C@H](Nc1cccnc1)C(=O)O.C[C@H](Nc1cccs1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
PTBP1 P26599 1/20 0.48
KLF5 Q13887 1/20 0.48
KDM4E B2RXH2 4/20 0.43
RAB9A P51151 4/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 3/20 0.43
FDPS P14324 1/20 0.43
NAMPT P43490 4/20 0.42
GAA P10253 2/20 0.42
TSHR P16473 1/20 0.42
PKM P14618 1/20 0.41
CFTR P13569 1/20 0.41
GOPC Q9HD26 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM1A O60341 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
SCHEMBL503440 0.86 FDPS (0.54) HTTSMN1; SMN2LMNAKDM4ERAB9A
SCHEMBL29417369 0.86 FDPS (0.54) HTTSMN1; SMN2LMNAKDM4ERAB9A
SCHEMBL44077 0.86 FDPS (0.54) HTTSMN1; SMN2LMNAKDM4ERAB9A
SCHEMBL44078 0.86 FDPS (0.54) HTTSMN1; SMN2LMNAKDM4ERAB9A
Hydrochloric Acid SCHEMBL7759084 0.85 FDPS (0.53) HTTSMN1; SMN2LMNAKDM4ERAB9A
Hydrochloric Acid SCHEMBL2722068 0.85 FDPS (0.53) HTTSMN1; SMN2LMNAKDM4ERAB9A
Hydrochloric Acid SCHEMBL2722070 0.85 FDPS (0.53) HTTSMN1; SMN2LMNAKDM4ERAB9A
SCHEMBL10434559 0.84 KDM4E (0.49) HTTSMN1; SMN2LMNAKDM4ERAB9A
SCHEMBL199861 0.83 GAA (0.53) HTTSMN1; SMN2LMNAKDM4ERAB9A
SCHEMBL41618 0.83 GAA (0.53) HTTSMN1; SMN2LMNAKDM4ERAB9A

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-1436002-A1 USE OF PEPTIDE VECTORS TO IMPROVE THE IMMUNE RESPONSE TO ANTIGENS SYNT:EM S.A. (FR) 2004-07-14 EP disclosed
WO-2003033021-A1 USE OF PEPTIDE VECTORS TO IMPROVE THE IMMUNE RESPONSE TO ANTIGENS SYNT:EM S.A. (FR) 2003-04-24 WO disclosed