SCHEMBL3891776

SCHEMBL3891776

NCCCNC(=O)C(O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.45
GNAI3 P08754 1/20 0.44
GNAO1 P09471 1/20 0.44
GNAI1 P63096 1/20 0.44
DPP7 Q9UHL4 2/20 0.44
ALDH1A1 P00352 2/20 0.43
ALDH1A2 O94788 1/20 0.43
ALDH2 P05091 1/20 0.43
ALDH1A3 P47895 1/20 0.43
RRM1 P23921 1/20 0.43
SIRT6 Q8N6T7 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
NOS1 P29475 1/20 0.39
PTGS1 P23219 1/20 0.37
KCNH2 Q12809 1/20 0.37
CHRNB2 P17787 2/20 0.36

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
SCHEMBL9772212 0.92 CA12 (0.52) PAOXMEN1MAPTKMT2ACHRNB2
Hydrochloric Acid SCHEMBL11038830 0.90 UBE2N (0.54) PAOXMEN1MAPTKMT2ACHRNB2
Hydrochloric Acid SCHEMBL9489962 0.90 UBE2N (0.54) PAOXMEN1MAPTKMT2ACHRNB2
SCHEMBL14169289 0.86 ALDH1A1 (0.56) PAOXGNAI3GNAO1GNAI1DPP7
SCHEMBL28387427 0.85
SCHEMBL9772224 0.84 GNAI3 (0.45) PAOXGNAI3GNAO1GNAI1DPP7
SCHEMBL9497692 0.82 KMT2A (0.53) PAOXGNAI3GNAO1GNAI1DPP7
SCHEMBL823169 0.79 CYP2D6 (0.50) PAOXGNAI3GNAO1GNAI1DPP7
SCHEMBL10888477 0.79 CA12 (0.52) PAOXALDH1A1MEN1USP2MAPT
SCHEMBL29234069 0.79 DPP7 (0.51) PAOXGNAI3GNAO1GNAI1DPP7

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
EP-1487484-B1 USE OF MIXTURES OF LIPOPEPTIDES FOR VACCINE PRODUCTION CENTRE NAT RECH SCIENT (FR) 2009-02-11 EP disclosed
EP-1487484-A2 USE OF MIXTURES OF LIPOPEPTIDES FOR VACCINE PRODUCTION INSTITUT PASTEUR DE LILLE (FR) 2004-12-22 EP disclosed
WO-2003075956-A2 USE OF MIXTURES OF LIPOPEPTIDES FOR VACCINE PRODUCTION INSTITUT PASTEUR DE LILLE (FR) 2003-09-18 WO disclosed