SCHEMBL27388397

SCHEMBL27388397

O=C(OCC1O[C@@H](O)[C@@H](OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)[C@@H]1O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGALS9 O00182 3/20 0.53
LGALS1 P09382 3/20 0.53
LGALS3 P17931 3/20 0.53
LGALS7; LGALS7B P47929 2/20 0.53
POLB P06746 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 3/20 0.46
PTPN1 P18031 3/20 0.45
HTT P42858 1/20 0.43
MAPK1 P28482 2/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LGALS8 O00214 1/20 0.40

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
SCHEMBL23269817 1.00 LGALS9 (0.53) LGALS9LGALS1LGALS3LGALS7; LGALS7BPOLB
SCHEMBL8603059 1.00 LGALS9 (0.53) LGALS9LGALS1LGALS3LGALS7; LGALS7BPOLB
SCHEMBL8657388 0.92 LGALS9 (0.50) LGALS9LGALS1LGALS3LGALS7; LGALS7BPOLB
SCHEMBL17612312 0.92 USP2 (0.56) LGALS9LGALS1LGALS3LGALS7; LGALS7BPOLB
SCHEMBL5384438 0.92 USP2 (0.56) LGALS9LGALS1LGALS3LGALS7; LGALS7BPOLB
SCHEMBL15481991 0.92 USP2 (0.56) LGALS9LGALS1LGALS3LGALS7; LGALS7BPOLB
SCHEMBL8153327 0.92 USP2 (0.56) LGALS9LGALS1LGALS3LGALS7; LGALS7BPOLB
SCHEMBL8153332 0.92 USP2 (0.56) LGALS9LGALS1LGALS3LGALS7; LGALS7BPOLB
SCHEMBL13146097 0.92 USP2 (0.56) LGALS9LGALS1LGALS3LGALS7; LGALS7BPOLB
SCHEMBL17471512 0.92 USP2 (0.56) LGALS9LGALS1LGALS3LGALS7; LGALS7BPOLB

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
WO-2024005485-A1 SAPONIN DERIVATIVE COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CORONAVIRUS INFECTION COMPRISING SAME 기초과학연구원 2024-01-04 WO disclosed