SCHEMBL8416649

SCHEMBL8416649

CC=C(C)C(=O)OCCCCCC(O)F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
FAAH O00519 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 2/20 0.32
MAPT P10636 2/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ZDHHC7 Q9NXF8 1/20 0.31
NAAA Q02083 1/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30
RAD52 P43351 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL28165646 0.93 TSHR (0.33) TSHRALDH1A1
SCHEMBL129321 0.85 TSHR (0.41) TSHRFAAHALDH1A1CYP3A4MAPT
SCHEMBL870591 0.85 TSHR (0.40) TSHRFAAHALDH1A1CYP3A4MAPT
SCHEMBL22129653 0.85 TSHR (0.40) TSHRFAAHALDH1A1CYP3A4MAPT
SCHEMBL10791477 0.85 TSHR (0.40) TSHRFAAHALDH1A1CYP3A4MAPT
SCHEMBL25313763 0.85 TSHR (0.40) TSHRFAAHALDH1A1CYP3A4MAPT
SCHEMBL22129654 0.85 TSHR (0.40) TSHRFAAHALDH1A1CYP3A4MAPT
SCHEMBL32686846 0.84 TSHR (0.50) TSHRFAAHALDH1A1CYP3A4NAAA
SCHEMBL9931865 0.83 TSHR (0.39) TSHRFAAHALDH1A1CYP3A4MAPT
SCHEMBL1627139 0.83 TSHR (0.37) TSHRFAAHALDH1A1CYP3A4MAPT

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-5908879-A A POLYSILOXANE COATING ON THE SURFACE OF THE PARTICLE. KURARAY CO., LTD. (JP) 1999-06-01 US disclosed