SCHEMBL31246459

SCHEMBL31246459

C=CC(=O)OCCC(=O)O.C=CC(=O)OCCOC(=O)CCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.53
ALDH1A1 P00352 5/20 0.53
TP53 P04637 3/20 0.53
HIF1A Q16665 3/20 0.53
HSD17B10 Q99714 1/20 0.53
THRB P10828 2/20 0.49
CYP3A4 P08684 2/20 0.48
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.36
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EGLN1 Q9GZT9 2/20 0.34
MAPT P10636 2/20 0.34
BLM P54132 1/20 0.34
KDM6B O15054 1/20 0.34
KDM5C P41229 1/20 0.34
PHF8 Q9UPP1 1/20 0.34

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
SCHEMBL26622823 0.96 TSHR (0.57) TSHRALDH1A1TP53HIF1AHSD17B10
Succinic Acid SCHEMBL30527931 0.96 TSHR (0.57) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL33640 0.96 TSHR (0.57) TSHRALDH1A1TP53HIF1AHSD17B10
Fluoride SCHEMBL16672887 0.94 TSHR (0.55) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL17921215 0.92 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL26108091 0.92 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL3876813 0.92 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL17693822 0.91 TSHR (0.68) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL19930106 0.91 TSHR (0.68) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL31247947 0.91 TSHR (0.68) TSHRALDH1A1TP53HIF1AHSD17B10

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
EP-4471962-A1 COMPOSITION, POLYMER AND MULTILAYER BODY DAIKIN INDUSTRIES, LTD. (JP) 2024-12-04 EP disclosed