SCHEMBL8087169

SCHEMBL8087169

NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 0.46
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
ITGB2 P05107 2/20 0.37
ICAM1 P05362 2/20 0.37
ITGAL P20701 2/20 0.37
SLC15A2 Q16348 1/20 0.36
CA2 P00918 4/20 0.35
CA1 P00915 2/20 0.35
PTGS1 P23219 1/20 0.35
GSTK1 Q9Y2Q3 1/20 0.35
MMP8 P22894 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
GNPAT O15228 1/20 0.33
CA4 P22748 1/20 0.33
CTSB P07858 1/20 0.33

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
SCHEMBL8609911 1.00 ECE1 (0.46) ECE1MEN1KMT2AALDH1A1RAB9A
SCHEMBL5820202 1.00 ECE1 (0.46) ECE1MEN1KMT2AALDH1A1RAB9A
SCHEMBL700301 1.00 ECE1 (0.46) ECE1MEN1KMT2AALDH1A1RAB9A
SCHEMBL8720265 0.97 ECE1 (0.44) ECE1MEN1KMT2AALDH1A1RAB9A
SCHEMBL901315 0.97 ECE1 (0.44) ECE1MEN1KMT2AALDH1A1RAB9A
SCHEMBL8717807 0.97 ECE1 (0.44) ECE1MEN1KMT2AALDH1A1RAB9A
SCHEMBL616543 0.97 ECE1 (0.44) ECE1MEN1KMT2AALDH1A1RAB9A
SCHEMBL15442513 0.97 ECE1 (0.44) ECE1MEN1KMT2AALDH1A1RAB9A
SCHEMBL8470054 0.97 ECE1 (0.44) ECE1MEN1KMT2AALDH1A1RAB9A
SCHEMBL8427315 0.96 ECE1 (0.45) ECE1MEN1KMT2AALDH1A1RAB9A

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
US-20230322870-A1 ACTINOBACILLUS PLEUROPNEUMONIAE VACCINES IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-10-12 US disclosed
CN-116323644-A Actinobacillus pleuropneumoniae vaccine 帝国理工创新有限公司 2023-06-23 CN disclosed
CN-107614534-B Porcine actinobacillus pleuropneumoniae recombinant toxin protein and application thereof 金协国际实业有限公司 2021-03-09 CN disclosed
CN-1198918-C Live attenuated bacteria of species actinobacillus pleuropneumoniae AKZO NOBEL NV (NL) 2005-04-27 CN disclosed
US-6150502-A AMINO ACID SEQUENCES; ANTIINFLAMMATORY AGENTS; WOUND HEALING AGENTS; ANTICARCINOGENIC AGENTS FOR MELANOMA; TREATMENT OF ALOPECIA AND SKIN DISORDERS; DEPILATORIES GENESIS RESEARCH & DEVELOPMENT CORPORATION LIMITED (NZ) 2000-11-21 US disclosed
CN-1202523-A Live attenuated bacteria of species actinobacillus pleuropneumoniae AKZO NOBEL NV (NL) 1998-12-23 CN disclosed