SCHEMBL11709262

SCHEMBL11709262

C=C(C)C(=O)Oc1ccc(CCC)c(OCCCC)c1OCCCC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PPARD Q03181 1/20 0.36
CA9 Q16790 1/20 0.35
CYSLTR2 Q9NS75 4/20 0.35
CYSLTR1 Q9Y271 4/20 0.35
ELANE P08246 2/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 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
SCHEMBL11709701 0.93 MTNR1A (0.35) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2154197 0.89 GABRA1 (0.35) TSHRTHRBHTTTDP1ELANE
SCHEMBL3865367 0.88 CYSLTR2 (0.33) TSHRTHRATHRBPOLBAPEX1
SCHEMBL28124909 0.85 MTNR1A (0.36) TSHRPOLBHTTPPARDCA9
SCHEMBL11705077 0.83 THRB (0.52) TSHRTHRATHRBTDP1PPARD
SCHEMBL11706701 0.82 TSHR (0.37) TSHRTHRATHRBPOLBAPEX1
SCHEMBL6473511 0.80 TSHR (0.38) TSHRTHRATHRBPOLBAPEX1
SCHEMBL8646975 0.79 THRB (0.44) TSHRTHRBPOLBAPEX1HTT
SCHEMBL10632040 0.77 PPARA (0.41) THRATHRBPPARDELANEMTNR1A
SCHEMBL29489300 0.77 HSD17B10 (0.35) TSHRTHRBTDP1CA9ELANE

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
US-4044044-A Anaerobic adhesive composition containing 0.05 to 20 parts per weight of phosphate esters of hydroxyacrylates per 100 parts per weight of polymerizable acrylic ester monomer SAITO TSUTOMU 1977-08-23 US disclosed