SCHEMBL30442012

SCHEMBL30442012

N[C@@H](CCC(=O)NNc1ccc(F)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.57
LMNA P02545 2/20 0.57
LTA4H P09960 10/20 0.54
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
CYP1A2 P05177 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
ALOX5 P09917 1/20 0.43
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GRM8 O00222 1/20 0.41
GRM6 O15303 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41

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
SCHEMBL26153209 1.00 GAA (0.57) GAALMNALTA4HSLC1A3SLC1A2
Xanthodermine SCHEMBL30194670 0.88 LTA4H (0.56) GAALMNALTA4HSLC1A3SLC1A2
SCHEMBL30441573 0.85 LTA4H (0.54) GAALTA4HALOX5
SCHEMBL26153186 0.85 LTA4H (0.54) GAALTA4HALOX5
SCHEMBL31369744 0.85 LTA4H (0.73) LTA4HSLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL2678853 0.84 LTA4H (0.52) GAALMNALTA4HSLC1A3SLC1A2
SCHEMBL2678851 0.84 LTA4H (0.52) GAALMNALTA4HSLC1A3SLC1A2
SCHEMBL30327374 0.82 LTA4H (0.50) GAALMNALTA4HALOX5GRIK1
SCHEMBL30442088 0.81 GAA (0.47) GAALMNALTA4HSLC1A3SLC1A2
SCHEMBL30442749 0.79 LTA4H (0.50) GAALTA4HSLC1A3SLC1A2SLC1A1

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
WO-2023085645-A1 NOVEL RAMALIN DERIVATIVE AND USE THEREOF FOR PREVENTION OR TREATMENT OF NEURODEGENERATIVE DISEASES 한국해양과학기술원 2023-05-19 WO disclosed