SCHEMBL6129407

SCHEMBL6129407

C=CC(=O)OCCOC(=O)c1cc(C(=O)O)c(C)cc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.43
TSHR P16473 8/20 0.42
ALDH1A1 P00352 5/20 0.42
TP53 P04637 2/20 0.42
HIF1A Q16665 2/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 1/20 0.39
CYP3A4 P08684 2/20 0.39
SERPINE1 P05121 1/20 0.33
KMT2A Q03164 2/20 0.32
LMNA P02545 2/20 0.32
GSTO1 P78417 1/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL12386663 0.91 TSHR (0.50) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL10892751 0.91 TSHR (0.50) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL10890546 0.91 TSHR (0.50) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL19201285 0.87 THRB (0.44) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL12430619 0.87 THRB (0.44) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL9767720 0.84 TSHR (0.59) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL19215618 0.81 THRB (0.41) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL10892651 0.80 THRB (0.47) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL2784396 0.80 THRB (0.47) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL29380620 0.80 THRB (0.47) THRBTSHRALDH1A1TP53HIF1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124578-A4 NOVEL IMMUNOADJUVANTS AVANT IMMUNOTHERAPEUTICS INC (US) 2005-01-19 EP disclosed
EP-1124578-A1 NOVEL IMMUNOADJUVANTS Avant Immunotherapeutics, Inc. (US) 2001-08-22 EP disclosed
US-6261573-B1 MIXTURE OF ANTIGEN, WATER SOLUBLE POLYMER AND AMPHIPHILIC COMPOUNDS AVANT IMMUNOTHERAPEUTICS, INC. 2001-07-17 US disclosed
WO-2000025815-A1 NOVEL IMMUNOADJUVANTS AVANT IMMUNOTHERAPEUTICS, INC. (US) 2000-05-11 WO disclosed