SCHEMBL30438255

SCHEMBL30438255

COc1c(Cl)ccc(Cl)c1C(=O)O[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SLC5A2 P31639 4/20 0.39
LGALS9 O00182 3/20 0.39
LGALS1 P09382 3/20 0.39
LGALS3 P17931 3/20 0.39
LGALS7; LGALS7B P47929 2/20 0.39
LGALS8 O00214 2/20 0.39
HK1 P19367 1/20 0.38
HK2 P52789 1/20 0.38
SLC5A1 P13866 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 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
SCHEMBL25584038 1.00 ALDH1A1 (0.45) ALDH1A1TSHRKDM4EHSD17B10SLC5A2
SCHEMBL25584039 1.00 ALDH1A1 (0.45) ALDH1A1TSHRKDM4EHSD17B10SLC5A2
SCHEMBL25204142 1.00 ALDH1A1 (0.45) ALDH1A1TSHRKDM4EHSD17B10SLC5A2
SCHEMBL25266700 1.00 ALDH1A1 (0.45) ALDH1A1TSHRKDM4EHSD17B10SLC5A2
SCHEMBL25584185 0.96 ALDH1A1 (0.46) ALDH1A1TSHRKDM4EHSD17B10SLC5A2
SCHEMBL25232988 0.96 ALDH1A1 (0.46) ALDH1A1TSHRKDM4EHSD17B10SLC5A2
SCHEMBL25232987 0.96 ALDH1A1 (0.46) ALDH1A1TSHRKDM4EHSD17B10SLC5A2
SCHEMBL30438126 0.96 ALDH1A1 (0.46) ALDH1A1TSHRKDM4EHSD17B10SLC5A2
SCHEMBL30438611 0.92 ALDH1A1 (0.46) ALDH1A1TSHRKDM4EHSD17B10SLC5A2
SCHEMBL30437808 0.92 ALDH1A1 (0.46) ALDH1A1TSHRKDM4EHSD17B10LGALS9

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-2023092188-A1 \"COMPOUNDS AND METHODS\ DemAgtech Pty Ltd (AU) 2023-06-01 WO disclosed