SCHEMBL3891772

SCHEMBL3891772

NC(=O)CCNC(=O)C(O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 0.43
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 3/20 0.39
USP2 O75604 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.34
ALDH1A2 O94788 1/20 0.33
ALDH2 P05091 1/20 0.33
ALDH1A3 P47895 1/20 0.33
ALOX15 P16050 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
ANPEP P15144 1/20 0.32
DNPEP Q9ULA0 1/20 0.32
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32

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
SCHEMBL4780583 0.79 ECE1 (0.50) ECE1ALDH1A1KMT2AUSP2MEN1
SCHEMBL7773733 0.79 ECE1 (0.42) ECE1ALDH1A1KMT2AUSP2MEN1
SCHEMBL7773749 0.79 ALDH1A1 (0.58) ECE1ALDH1A1KMT2AUSP2MEN1
SCHEMBL20233949 0.77 ECE1 (0.49) ECE1ALDH1A1KMT2AUSP2MEN1
SCHEMBL10901475 0.76 ECE1 (0.40) ECE1ALDH1A1KMT2AUSP2MEN1
SCHEMBL28387427 0.75
SCHEMBL10364554 0.74 ECE1 (0.50) ECE1ALDH1A1KMT2AUSP2MEN1
SCHEMBL10364556 0.74 ECE1 (0.50) ECE1ALDH1A1KMT2AUSP2MEN1
SCHEMBL12716988 0.74 ECE1 (0.46) ECE1ALDH1A1KMT2AUSP2MEN1
SCHEMBL29383211 0.74 ECE1 (0.46) ECE1ALDH1A1KMT2AUSP2MEN1

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