SCHEMBL28545362

SCHEMBL28545362

C=CC(=O)OCCCC.C=CC(=O)OCCCCO.C=CC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.56
HPGD P15428 1/20 0.56
ALDH1A1 P00352 4/20 0.54
CYP3A4 P08684 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MAPK1 P28482 2/20 0.54
THRB P10828 2/20 0.46
HCAR2 Q8TDS4 1/20 0.44
LMNA P02545 2/20 0.43
TGM2 P21980 1/20 0.41
TP53 P04637 1/20 0.41
ATM Q13315 1/20 0.41
CETP P11597 2/20 0.40

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 0.91 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4TDP1
SCHEMBL8418367 0.91 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4TDP1
Acrylic Acid SCHEMBL28546804 0.90 THRB (0.58) TSHRHPGDALDH1A1CYP3A4TDP1
Acrylic Acid SCHEMBL8102270 0.88 TSHR (0.54) TSHRHPGDALDH1A1CYP3A4TDP1
Maleic Acid SCHEMBL8095912 0.86 HCAR2 (0.57) TSHRHPGDALDH1A1CYP3A4TDP1
Fumaric Acid SCHEMBL8095916 0.86 HCAR2 (0.57) TSHRHPGDALDH1A1CYP3A4TDP1
Methacrylic Acid SCHEMBL8096653 0.85 TSHR (0.50) TSHRHPGDALDH1A1CYP3A4TDP1
Diphenylmethane SCHEMBL28294258 0.84 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4TDP1
SCHEMBL7852013 0.84 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4TDP1
SCHEMBL4359545 0.83 TSHR (0.81) TSHRHPGDALDH1A1CYP3A4THRB

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
CN-107207816-B Conductive material and laminate 派尔查克株式会社 2021-03-30 CN disclosed