SCHEMBL5325285

SCHEMBL5325285

CCNC(=O)CC[C@H](N)C(=O)OC(C)N

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 9/20 0.39
ALDH1A1 P00352 1/20 0.38
FAAH O00519 1/20 0.38
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
LTA4H P09960 2/20 0.34
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
HPGD P15428 1/20 0.32
TSHR P16473 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
SCHEMBL14281128 0.84 LTA4H (0.45) NOD1ALDH1A1FAAHCHRNB2CHRNB4
SCHEMBL623497 0.84 LTA4H (0.45) NOD1ALDH1A1FAAHCHRNB2CHRNB4
SCHEMBL8653509 0.84 FAAH (0.41) NOD1ALDH1A1FAAHCHRNB2CHRNB4
SCHEMBL16976936 0.83 NOD1 (0.48) NOD1ALDH1A1FAAHLTA4HTSHR
SCHEMBL29783052 0.83 NOD1 (0.48) NOD1ALDH1A1FAAHLTA4HTSHR
SCHEMBL4450429 0.83 NOD1 (0.48) NOD1ALDH1A1FAAHLTA4HTSHR
Hydrochloric Acid SCHEMBL29783043 0.81 NOD1 (0.47) NOD1ALDH1A1FAAHLTA4HTSHR
Hydrochloric Acid SCHEMBL29783202 0.81 NOD1 (0.47) NOD1ALDH1A1FAAHLTA4HTSHR
SCHEMBL6782544 0.79 LTA4H (0.47) NOD1ALDH1A1FAAHLTA4H
Theanine SCHEMBL30752808 0.77 FAAH (0.41) NOD1ALDH1A1FAAHMMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58170703-A None JP disclosed
US-20070248737-A1 Process for preparing a tea product CONOPCO INC, D/B/A UNILEVER 2007-10-25 US disclosed
WO-2007098931-A1 PROCESS FOR PREPARING A TEA PRODUCT UNILEVER PLC (GB) 2007-09-07 WO disclosed
US-20020127286-A1 Method for the treatment of human or animal cells, tissue cultures and/or organs outside the human or animal body KREUTER MATHIS-HEINRICH (CH) 2002-09-12 US disclosed
JP-S58170703-A QUALITY IMPROVEMENT IN GREEN TEA CHUO KASEI KK 1983-10-07 JP disclosed
EP-0014984-B1 GLUCOSAMINE-PEPTIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1982-12-01 EP disclosed