SCHEMBL17033941

SCHEMBL17033941

C=CC(=O)OCCOCCOc1ccccc1OCCOC(=O)C=C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.66
ALDH1A1 P00352 8/20 0.63
TSHR P16473 5/20 0.63
TP53 P04637 2/20 0.63
HIF1A Q16665 2/20 0.63
HSD17B10 Q99714 1/20 0.63
KMT2A Q03164 1/20 0.56
PTK2B Q14289 1/20 0.56
LMNA P02545 3/20 0.54
KDM4E B2RXH2 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP3A4 P08684 1/20 0.44
USP2 O75604 1/20 0.44
MAPT P10636 2/20 0.43
JAK2 O60674 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL17036970 0.95 THRB (0.60) THRBALDH1A1TSHRTP53HIF1A
SCHEMBL17034281 0.90 ALDH1A1 (0.74) THRBALDH1A1TSHRTP53HIF1A
SCHEMBL17036926 0.90 THRB (0.57) THRBALDH1A1TSHRTP53HIF1A
SCHEMBL8549379 0.89 THRB (0.64) THRBALDH1A1TSHRTP53HIF1A
SCHEMBL17036773 0.88 THRB (0.56) THRBALDH1A1TSHRTP53HIF1A
SCHEMBL15910581 0.87 THRB (0.62) THRBALDH1A1TSHRTP53HIF1A
SCHEMBL28121765 0.87 THRB (0.62) THRBALDH1A1TSHRTP53HIF1A
SCHEMBL25123477 0.87 USP2 (0.61) THRBALDH1A1TSHRTP53HIF1A
SCHEMBL21312667 0.87 THRB (0.55) THRBALDH1A1TSHRTP53HIF1A
SCHEMBL7624262 0.87 USP2 (0.61) THRBALDH1A1TSHRTP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015126865-A1 ADHESIVE BONDING COMPOSITION AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-08-27 WO disclosed
WO-2015126862-A1 DENTAL COMPOSITION AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-08-27 WO disclosed