SCHEMBL31228620

SCHEMBL31228620

O=C(Cl)c1ccc(OCCCCCCl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.56
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
PLA2G4B P0C869 2/20 0.51
PRMT1 Q99873 3/20 0.50
F2 P00734 2/20 0.50
ST14 Q9Y5Y6 2/20 0.50
PLAU P00749 1/20 0.50
PRMT5 O14744 1/20 0.50
SLC22A2 O15244 1/20 0.50
SLC22A1 O15245 1/20 0.50
TMPRSS2 O15393 1/20 0.50
PTP4A3 O75365 1/20 0.50
SLC22A3 O75751 1/20 0.50
F10 P00742 1/20 0.50
PLG P00747 1/20 0.50
S100B P04271 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50

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
SCHEMBL3626122 1.00 GAA (0.59) GAAL3MBTL1TP53TSHRPLA2G4B
SCHEMBL9615211 0.94 GAA (0.66) GAAL3MBTL1TP53TSHRPLA2G4B
SCHEMBL2039841 0.92 L3MBTL1 (0.55) GAAL3MBTL1TP53TSHRPLA2G4B
SCHEMBL1874960 0.89 L3MBTL1 (0.50) GAAL3MBTL1TP53TSHRPLA2G4B
SCHEMBL9680607 0.87 GAA (0.58) GAAL3MBTL1TP53TSHRPLA2G4B
SCHEMBL9668422 0.87 GAA (0.58) GAAL3MBTL1TP53TSHRPLA2G4B
SCHEMBL7596495 0.87 RARB (0.51) GAAL3MBTL1TP53TSHRPLA2G4B
SCHEMBL4081685 0.87 HTT (0.52) GAAL3MBTL1TP53TSHRPLA2G4B
SCHEMBL10954272 0.86 MAPT (0.59) GAAL3MBTL1TP53TSHRPRSS1
SCHEMBL10045771 0.86 TP53 (0.73) GAATP53TSHRPLA2G4BRARB

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-2024211633-A1 POLYPEPTIDE ADJUVANTS AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-10-10 WO disclosed