SCHEMBL8418367

SCHEMBL8418367

C=CC(=O)OCCCCCCCC.C=CC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.57
HPGD P15428 1/20 0.57
ALDH1A1 P00352 4/20 0.55
CYP3A4 P08684 4/20 0.55
MAPK1 P28482 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
LMNA P02545 3/20 0.50
CETP P11597 3/20 0.49
THRB P10828 3/20 0.49
THRA P10827 1/20 0.48
HCAR2 Q8TDS4 3/20 0.48
TP53 P04637 1/20 0.48
TGM2 P21980 1/20 0.47
MEN1 O00255 1/20 0.46
NR1I2 O75469 1/20 0.46
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46
MAPT P10636 1/20 0.46
OPRK1 P41145 1/20 0.46

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
SCHEMBL11662783 1.00 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4MAPK1
Acrylic Acid SCHEMBL8102270 0.97 TSHR (0.54) TSHRHPGDALDH1A1CYP3A4MAPK1
Maleic Acid SCHEMBL8095912 0.95 HCAR2 (0.57) TSHRHPGDALDH1A1CYP3A4MAPK1
Fumaric Acid SCHEMBL8095916 0.95 HCAR2 (0.57) TSHRHPGDALDH1A1CYP3A4MAPK1
Methacrylic Acid SCHEMBL8096653 0.94 TSHR (0.50) TSHRHPGDALDH1A1CYP3A4MAPK1
SCHEMBL28545362 0.91 TSHR (0.56) TSHRHPGDALDH1A1CYP3A4MAPK1
SCHEMBL9638004 0.90 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4MAPK1
SCHEMBL28268541 0.90 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4MAPK1
SCHEMBL5654912 0.89 HCAR2 (0.62) TSHRALDH1A1CYP3A4MAPK1TDP1
Phenol SCHEMBL111779 0.89 TSHR (0.60) TSHRHPGDALDH1A1CYP3A4MAPK1

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
EP-0938972-A1 Photosensitive lithographic form plate using an image-forming material FUJI PHOTO FILM CO., LTD. (JP) 1999-09-01 EP disclosed