SCHEMBL30600448

SCHEMBL30600448

C[C@@H](O)C(N)(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
SLC15A1 P46059 1/20 0.47
KMT2A Q03164 3/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ATM Q13315 1/20 0.43
LMNA P02545 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
CTSL P07711 1/20 0.42

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
SCHEMBL27711459 0.94 ALDH1A1 (0.49) ALDH1A1SLC15A1KMT2AMAPK1L3MBTL1
SCHEMBL6064499 0.86 ALDH1A1 (0.50) ALDH1A1SLC15A1KMT2AMAPK1L3MBTL1
SCHEMBL6064496 0.86 ALDH1A1 (0.50) ALDH1A1SLC15A1KMT2AMAPK1L3MBTL1
SCHEMBL4424431 0.84 ALDH1A1 (0.49) ALDH1A1SLC15A1KMT2AMAPK1L3MBTL1
SCHEMBL25968833 0.82 ALDH1A1 (0.53) ALDH1A1SLC15A1KMT2AMAPK1L3MBTL1
SCHEMBL15114666 0.82 ALDH1A1 (0.53) ALDH1A1SLC15A1KMT2AMAPK1L3MBTL1
SCHEMBL23542539 0.81 ALDH1A1 (0.51) ALDH1A1SLC15A1KMT2AMAPK1L3MBTL1
SCHEMBL27616534 0.81 ALDH1A1 (0.51) ALDH1A1SLC15A1KMT2AMAPK1L3MBTL1
SCHEMBL29462738 0.80 ALDH1A1 (0.47) ALDH1A1SLC15A1KMT2AMAPK1L3MBTL1
SCHEMBL4647195 0.80 ALDH1A1 (0.44) ALDH1A1SLC15A1KMT2AMAPK1L3MBTL1

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-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 CN disclosed