SCHEMBL7758915

SCHEMBL7758915

NCC(=O)N(C(=O)OCc1ccccc1)c1ccc(C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
SRD5A2 P31213 2/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PLA2G4B P0C869 1/20 0.42
AOC3 Q16853 2/20 0.41
PTGES O14684 2/20 0.40
ALOX5 P09917 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
LTC4S Q16873 1/20 0.39

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
SCHEMBL27675503 0.90 ALDH1A1 (0.46) ALDH1A1MAPTHPGDLMNAKMT2A
SCHEMBL7761467 0.86 ALDH1A1 (0.52) ALDH1A1MAPTHPGDLMNAKMT2A
SCHEMBL10542518 0.84 PLA2G4B (0.49) ALDH1A1MAPTSRD5A2KMT2ATDP1
SCHEMBL7622069 0.83 ALDH1A1 (0.39) ALDH1A1MAPTHPGDKMT2ASLC6A2
SCHEMBL9780066 0.83 CA1 (0.48)
SCHEMBL11369594 0.81 ALDH1A1 (0.40) ALDH1A1MAPTHPGDLMNAKMT2A
SCHEMBL11756539 0.78 ALDH1A1 (0.41) ALDH1A1MAPTHPGDKMT2ASLC6A2
SCHEMBL9118903 0.77 ALDH1A1 (0.55) ALDH1A1MAPTHPGDLMNAKMT2A
SCHEMBL5582815 0.77 ALDH1A1 (0.60) ALDH1A1MAPTHPGDNR4A1NR4A2
SCHEMBL6214940 0.76 ALDH1A1 (0.44) ALDH1A1MAPTHPGDLMNAKMT2A

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-2001062242-A1 PRODRUGS OF SUBSTITUTED CYCLOPENTANE AND CYCLOPENTENE COMPOUNDS USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2001-08-30 WO disclosed