SCHEMBL7488146

SCHEMBL7488146

CCc1cccc(C(=O)C(NC(C)=O)C(O)C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.44
KAT6A Q92794 1/20 0.41
BCL2 P10415 1/20 0.40
PTGS2 P35354 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
CNR2 P34972 1/20 0.39
FOLH1 Q04609 2/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
RAB9A P51151 1/20 0.37
PDE5A O76074 1/20 0.37
CTRB1 P17538 2/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37

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
SCHEMBL7497110 0.83 ALDH1A1 (0.46) RAB9A
SCHEMBL7496809 0.82 CA12 (0.45) RAB9A
SCHEMBL7434063 0.81 CES2 (0.43) CTRB1
SCHEMBL7490082 0.81 ALDH1A1 (0.50) KAT6ARAB9A
SCHEMBL7442141 0.79 NPC1 (0.49) RAB9A
SCHEMBL7493860 0.76 SMN1; SMN2 (0.46) RAB9A
SCHEMBL7431312 0.76 BACE1 (0.44) SLC7A5PTGS2CTRB1
SCHEMBL7493041 0.76 L3MBTL1 (0.47) RAB9A
SCHEMBL7490643 0.75 KDM4E (0.50) PTGS2
SCHEMBL7107879 0.75 BCL2 (0.47) SLC7A5KAT6ABCL2PTGS2SMYD3

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