SCHEMBL7091797

SCHEMBL7091797

C=CC(=O)OCC(C)C.COC(C=CC(=O)O)=Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TAAR1 Q96RJ0 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HCAR2 Q8TDS4 3/20 0.37
THRB P10828 1/20 0.37
LMNA P02545 2/20 0.36
AKR1C3 P42330 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CACNA1F O60840 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 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
Styrene SCHEMBL7589392 0.85 TSHR (0.58) TSHRTAAR1ALDH1A1HCAR2THRB
Styrene SCHEMBL2988113 0.79 TSHR (0.66) TSHRMEN1KMT2AALDH1A1THRB
Styrene SCHEMBL3291123 0.78 HCAR2 (0.49) TSHRALDH1A1HCAR2LMNAAKR1C3
Styrene SCHEMBL3291121 0.78 HCAR2 (0.49) TSHRALDH1A1HCAR2LMNAAKR1C3
Styrene SCHEMBL5832166 0.77 HCAR2 (0.52) TSHRALDH1A1HCAR2THRBLMNA
Styrene SCHEMBL5832170 0.77 HCAR2 (0.52) TSHRALDH1A1HCAR2THRBLMNA
Styrene SCHEMBL28739827 0.74 TSHR (0.57) TSHRMEN1KMT2AALDH1A1THRB
Styrene SCHEMBL2539780 0.72 TSHR (0.50) TSHRMEN1KMT2AALDH1A1HCAR2
Isobutyl Cinnamate SCHEMBL14763629 0.72 HDAC3 (0.58) TSHRMEN1KMT2AALDH1A1HCAR2
Acrylic Acid SCHEMBL8390074 0.72 TSHR (0.88) TSHRALDH1A1HCAR2THRBLMNA

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
US-6604819-B2 Ink jet image recording method FUJI PHOTO FILM CO., LTD. (JP) 2003-08-12 US disclosed
US-6543888-B2 Ink-jet image recording method FUJI PHOTO FILM CO., LTD. (JP) 2003-04-08 US disclosed