SCHEMBL28978112

SCHEMBL28978112

CCCNC(NCCC)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.46
ACE P12821 1/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
FAAH O00519 3/20 0.36
LTA4H P09960 2/20 0.36
PGR P06401 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL28978102 1.00 MME (0.46) MMEACECPA1ACE2FAAH
SCHEMBL10952953 0.87 MME (0.50) MMEACECPA1ACE2FAAH
SCHEMBL10952947 0.87 MME (0.50) MMEACECPA1ACE2FAAH
SCHEMBL30493757 0.79 SMN1; SMN2 (0.46) MMEACECPA1ACE2FAAH
SCHEMBL28310182 0.76 MME (0.47) MMEACECPA1ACE2FAAH
SCHEMBL28310183 0.76 MME (0.47) MMEACECPA1ACE2FAAH
SCHEMBL5615746 0.76 FAAH (0.47) MMEACECPA1ACE2FAAH
SCHEMBL2644360 0.76
SCHEMBL2644357 0.76
SCHEMBL4618860 0.76

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
CN-116143678-A Conjugate linker, cell-binding molecule-drug conjugate containing the same, and preparation and application thereof 杭州多禧生物科技有限公司 2023-05-23 CN disclosed
CN-110099682-B Coupled connector, cell binding molecule-drug conjugate containing same, and preparation and application thereof 杭州多禧生物科技有限公司 2023-03-31 CN disclosed