SCHEMBL10779474

SCHEMBL10779474

C=C(C)C(=O)OCC(OCC)Oc1ccc(C(F)(F)C(F)(F)c2ccc(OC(COC(=O)C(=C)C)OCC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
FFAR1 O14842 4/20 0.35
PPARG P37231 2/20 0.35
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PPARD Q03181 4/20 0.34
THRB P10828 1/20 0.33
PPARA Q07869 2/20 0.32
NPSR1 Q6W5P4 1/20 0.31
CES2 O00748 1/20 0.31
ACHE P22303 1/20 0.31
CES1 P23141 1/20 0.31
PTPN5 P54829 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL10784499 0.88 HTT (0.33) TSHRFFAR1PPARGPOLBAPEX1
SCHEMBL690484 0.83 TSHR (0.42) TSHRPOLBAPEX1HTTTDP1
SCHEMBL21980241 0.82 HTT (0.42) TSHRPOLBAPEX1HTTTDP1
SCHEMBL10779481 0.77 POLB (0.40) TSHRPPARGPOLBAPEX1HTT
SCHEMBL10779755 0.76 FFAR1 (0.34) TSHRFFAR1PPARGAPEX1HTT
SCHEMBL2289378 0.75 TSHR (0.59) TSHRPOLBAPEX1HTTTDP1
SCHEMBL9418250 0.74 ELANE (0.36) TSHRPOLBAPEX1HTTTDP1
SCHEMBL10603079 0.72 POLB (0.55) TSHRPOLBAPEX1HTTTDP1
SCHEMBL7907432 0.72 AR (0.54) TSHRPOLBAPEX1HTTTDP1
SCHEMBL3013436 0.71 TSHR (0.41) TSHRPOLBAPEX1HTTTDP1

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-4665217-A DENTAL FILLERS AND COATINGS BAYER AKTIENGESELLSCHAFT (DE) 1987-05-12 US disclosed