SCHEMBL7500749

SCHEMBL7500749

CCCCc1ccc(C(=O)C(NC(C)=O)C(O)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.48
PLK1 P53350 1/20 0.48
GAA P10253 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
THRA P10827 2/20 0.43
THRB P10828 2/20 0.43
HAO1 Q9UJM8 1/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
RARA P10276 1/20 0.43
MTOR P42345 1/20 0.43
KMT2A Q03164 1/20 0.43
ICMT O60725 1/20 0.42
POLB P06746 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
SCHEMBL7493041 0.92 L3MBTL1 (0.47) RARBPLK1GAAALDH1A1THRB
SCHEMBL7497110 0.86 ALDH1A1 (0.46) PLK1GAAALDH1A1MAPTMEN1
SCHEMBL7496442 0.79 LMNA (0.40) ALDH1A1HPGDHSD17B10MAPTMEN1
SCHEMBL7438493 0.78 ALDH1A1 (0.46) RARBPLK1GAATRPV1MAPK1
SCHEMBL7434063 0.78 CES2 (0.43) ALDH1A1MAPTKMT2A
SCHEMBL7430292 0.77 CYP1A2 (0.49) GAAALDH1A1MEN1KMT2A
SCHEMBL7500101 0.77 NPC1 (0.41) GAAMAPK1ALDH1A1HPGDMEN1
SCHEMBL7485958 0.77 NPSR1 (0.54) PLK1GAAHPGDMAPTMEN1
SCHEMBL7494680 0.77 TSHR (0.43) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL7436814 0.76 SMN1; SMN2 (0.47) GAAALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4453003-A ENZYME INHIBITORS, ANTIINFLAMMATORY AGENTS UMEZAWA HAMAO (JP) 1984-06-05 US disclosed
US-4391986-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediates therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1983-07-05 US disclosed
US-4281180-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediated therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1981-07-28 US disclosed