SCHEMBL6273372

SCHEMBL6273372

O=C(OC[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@@H]1O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
TDP1 Q9NUW8 2/20 0.50
HTT P42858 1/20 0.50
MAPK1 P28482 2/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HIF1A Q16665 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
HPGD P15428 1/20 0.48
LMNA P02545 1/20 0.47
SYNJ2 O15056 3/20 0.47
TYMP P19971 1/20 0.47
PPM1B O75688 1/20 0.46
LGALS9 O00182 1/20 0.46
LGALS1 P09382 1/20 0.46
LGALS3 P17931 1/20 0.46
LGALS7; LGALS7B P47929 1/20 0.46

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
SCHEMBL6273371 1.00 ALDH1A1 (0.53) ALDH1A1TDP1HTTMAPK1POLB
SCHEMBL11175481 0.94 LGALS9 (0.54) ALDH1A1TDP1HTTMAPK1POLB
SCHEMBL11175487 0.94 LGALS9 (0.54) ALDH1A1TDP1HTTMAPK1POLB
SCHEMBL11169728 0.92 ALDH1A1 (0.51) ALDH1A1TDP1HTTMAPK1POLB
SCHEMBL27988153 0.92 LGALS9 (0.53) ALDH1A1HTTSYNJ2TYMPLGALS9
SCHEMBL9245476 0.91 ALDH1A1 (0.49) ALDH1A1TDP1HTTMAPK1POLB
SCHEMBL26455064 0.91 ALDH1A1 (0.49) ALDH1A1TDP1HTTMAPK1POLB
SCHEMBL9245472 0.91 ALDH1A1 (0.49) ALDH1A1TDP1HTTMAPK1POLB
SCHEMBL20691410 0.89 ALDH1A1 (0.51) ALDH1A1TDP1HTTMAPK1POLB
SCHEMBL15267379 0.89 ALDH1A1 (0.48) ALDH1A1TDP1HTTMAPK1POLB

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-4378369-A HYPOGLYCEMIC, ANTIDIABETIC SANDOZ, INC. (US) 1983-03-29 US claimed
WO-2005075490-A2 SYNTHESIS OF POLYSULFATED URONIC ACID GLYCOSIDES IVAX CORPORATION (US) 2005-08-18 WO disclosed
US-4378369-A HYPOGLYCEMIC, ANTIDIABETIC SANDOZ, INC. (US) 1983-03-29 US disclosed