SCHEMBL7982345

SCHEMBL7982345

O=C(O)c1c(OCc2ccco2)c(C(=O)O)c(OCc2ccco2)c(C(=O)O)c1OCc1ccco1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48
GAA P10253 1/20 0.47
TNFRSF1A P19438 1/20 0.44
TSHR P16473 4/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RECQL P46063 1/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL11761636 0.75 ALDH1A1 (0.66) ALDH1A1SLC1A3SLC1A2SLC1A1GAA
SCHEMBL6443452 0.74 ALDH1A1 (0.70) ALDH1A1SLC1A3SLC1A2SLC1A1GAA
SCHEMBL7505965 0.73 NR4A2 (0.61) KMT2A
SCHEMBL28486469 0.72 GAA (0.59) ALDH1A1GAAPOLBHPGDKMT2A
SCHEMBL1607082 0.72 GAA (0.70) ALDH1A1SLC1A3SLC1A2SLC1A1GAA
SCHEMBL14991432 0.72 ALDH1A1 (0.72) ALDH1A1SLC1A3SLC1A2SLC1A1GAA
SCHEMBL8555718 0.71 ALDH1A1 (0.56) ALDH1A1SLC1A3SLC1A2SLC1A1GAA
SCHEMBL7073101 0.71 GAA (0.46) ALDH1A1GAATNFRSF1ATSHRPOLB
SCHEMBL6443447 0.71 ALDH1A1 (0.70) ALDH1A1SLC1A3SLC1A2SLC1A1GAA
Benzoic Acid SCHEMBL29002940 0.70 ALDH1A1 (0.54) ALDH1A1SLC1A3SLC1A2SLC1A1TSHR

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-6271335-B1 HEATING A MIXTURE OF AT LEAST ONE BIS(MALEIMIDE) COMPOUND AND AT LEAST ONE MONOMERIC TRIS(FURAN) OR TETRAKIS(FURAN) COMPOUND TO FORM A GEL AND COOLING; HEATING TO A TEMPERATURE GREATER THAN 90 DEGREE C. WILL DEPOLYMERIZE THE GEL SANDIA CORPORATION 2001-08-07 US disclosed