Glyoxylate

Glyoxylate

SCHEMBL7968382

CCc1cc(Br)ccc1-c1ccccc1.O=CC(=O)O

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.44
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 2/20 0.40
FBP1 P09467 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
PRNP P04156 1/20 0.38
PPARG P37231 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NR2E3 Q9Y5X4 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL6509941 0.89 PTGDR2 (0.45) PTGDR2ALDH1A1KMT2AFBP1MMP2
Glyoxylate SCHEMBL7971642 0.82 FFAR1 (0.47) PTGDR2KMT2APDPK1
Glyoxylate SCHEMBL7966816 0.82 FFAR1 (0.47) PTGDR2KMT2AMEN1SMN1; SMN2AKR1C3
SCHEMBL17787534 0.78 S100A4 (0.40) PTGDR2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL1988581 0.77 PTGDR2 (0.46) PTGDR2ALDH1A1KMT2AMEN1AKR1C3
SCHEMBL6517710 0.76 PTGDR2 (0.40) PTGDR2ALDH1A1KDM4ESMN1; SMN2PPARG
SCHEMBL17063605 0.76 ESR1 (0.44) ALDH1A1KMT2AKDM4EMEN1HTT
SCHEMBL2395342 0.75 PTGDR2 (0.43) PTGDR2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL12798321 0.74 S100A4 (0.46) PTGDR2ALDH1A1KDM4ESMN1; SMN2PRNP
SCHEMBL14825943 0.74 ALDH1A1 (0.43) ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2

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
US-6265436-B1 ANTIINFLAMMATORY AGENTS OXIS THERAPEUTICS INC. 2001-07-24 US disclosed