SCHEMBL30477359

SCHEMBL30477359

N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.58
HRH4 Q9H3N8 1/20 0.52
MME P08473 1/20 0.51
ACE P12821 1/20 0.51
CPA1 P15085 1/20 0.51
ACE2 Q9BYF1 1/20 0.51
NAALAD2 Q9Y3Q0 2/20 0.49
MC4R P32245 1/20 0.47
MC5R P33032 1/20 0.47
MC1R Q01726 1/20 0.47
LCK P06239 1/20 0.46
OPRD1 P41143 1/20 0.46
GAA P10253 1/20 0.45
CTNNB1 P35222 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL30477362 0.89 FOLH1 (0.53) FOLH1HRH4MMEACECPA1
SCHEMBL4599159 0.86 FOLH1 (0.51) FOLH1HRH4MMEACECPA1
SCHEMBL4599154 0.86 FOLH1 (0.51) FOLH1HRH4MMEACECPA1
SCHEMBL29511126 0.85 HRH4 (0.63) HRH4MMEACECPA1ACE2
SCHEMBL29533784 0.84 FOLH1 (0.52) FOLH1HRH4MMEACECPA1
SCHEMBL3048911 0.82 NAALAD2 (0.68) FOLH1MMENAALAD2GAA
SCHEMBL6236774 0.82 NAALAD2 (0.68) FOLH1MMENAALAD2GAA
SCHEMBL3048908 0.82 NAALAD2 (0.68) FOLH1MMENAALAD2GAA
SCHEMBL3547828 0.81 KDM4E (0.64) ACEMEN1KMT2A
SCHEMBL29405435 0.81 KDM4E (0.64) ACEMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116348476-A Peptide-based linkers 拜斯科技术开发有限公司 2023-06-27 CN disclosed