SCHEMBL28059526

SCHEMBL28059526

C=C(C)C(=O)OCCCCCCCCCCC.C=CC(=O)OC(C)CCCCCCCCC

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.61
FAAH O00519 5/20 0.47
HPGD P15428 1/20 0.45
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
HCAR2 Q8TDS4 2/20 0.38
THRB P10828 1/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NAAA Q02083 1/20 0.36
PLA2G2C Q5R387 1/20 0.36
RAD52 P43351 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL8505774 0.88 TSHR (0.60) TSHRFAAHHPGDALDH1A1CYP3A4
SCHEMBL31405830 0.88 TSHR (0.60) TSHRFAAHHPGDALDH1A1CYP3A4
SCHEMBL29221175 0.87 TSHR (0.54) TSHRFAAHHPGDALDH1A1CYP3A4
SCHEMBL5270024 0.86 TSHR (0.60) TSHRFAAHHPGDALDH1A1CYP3A4
SCHEMBL5477404 0.86 TSHR (0.60) TSHRFAAHHPGDALDH1A1CYP3A4
SCHEMBL29110637 0.86 TSHR (0.63) TSHRFAAHHPGDALDH1A1CYP3A4
SCHEMBL2045574 0.86 TSHR (0.63) TSHRFAAHHPGDALDH1A1CYP3A4
SCHEMBL31589984 0.86 TSHR (0.63) TSHRFAAHHPGDALDH1A1CYP3A4
Methacrylic Acid SCHEMBL28062060 0.85 FAAH (0.49) TSHRFAAHHPGDALDH1A1CNR1
SCHEMBL7789531 0.85 TSHR (0.60) TSHRFAAHHPGDALDH1A1CYP3A4

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
CN-105593950-A Photosensitive conductive film, conductive pattern formation method using same, and conductive pattern substrate HITACHI CHEMICAL CO LTD 2016-05-18 CN disclosed
CN-105593257-A Aqueous pigment dispersion, pigment dispersant, and core-shell polymer particle DAINIPPON INK & CHEMICALS 2016-05-18 CN disclosed