SCHEMBL7490643

SCHEMBL7490643

CC(=O)NC(C(=O)c1ccc(O)c(O)c1)C(O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.50
GAA P10253 4/20 0.50
RECQL P46063 2/20 0.50
DBH P09172 1/20 0.50
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
MAPT P10636 5/20 0.43
POLB P06746 4/20 0.43
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA7 P43166 3/20 0.43
CA9 Q16790 3/20 0.43
CA14 Q9ULX7 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PTGS2 P35354 2/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
TDP1 Q9NUW8 5/20 0.43
BLM P54132 5/20 0.43

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
SCHEMBL7496442 0.83 LMNA (0.40) MAPTCA12CA1CA2CA7
SCHEMBL7496809 0.81 CA12 (0.45) KDM4EGAARECQLMAPTPOLB
SCHEMBL7493860 0.80 SMN1; SMN2 (0.46) KDM4EGAAMAPTSLC6A2SMN1; SMN2
SCHEMBL7434063 0.80 CES2 (0.43) MAPTL3MBTL1TDP1TSHRSMN1; SMN2
SCHEMBL7430292 0.79 CYP1A2 (0.49) KDM4EGAACA12CA14NFKB1
SCHEMBL7500101 0.79 NPC1 (0.41) GAAPOLBCA1CA2TSHR
SCHEMBL7436814 0.78 SMN1; SMN2 (0.47) KDM4EGAAMAPTL3MBTL1PTGS2
SCHEMBL7435408 0.77 ALDH1A1 (0.51) MAPTPOLBCA1CA2CYP1A2
SCHEMBL7497110 0.77 ALDH1A1 (0.46) GAAMAPTPOLBTDP1LMNA
SCHEMBL7488146 0.75 SLC7A5 (0.44) PTGS2

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