SCHEMBL5607697

SCHEMBL5607697

C=C(CC=CC(=O)O)C(=O)OC.C=CC(=O)OCCCC.CCC(CO)(CO)CO

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
HPGD P15428 1/20 0.47
HCAR2 Q8TDS4 4/20 0.42
THRB P10828 1/20 0.39
ATM Q13315 1/20 0.37
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
APP P05067 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
SCHEMBL2897557 0.91 TSHR (0.56) TSHRHPGDHCAR2THRBATM
SCHEMBL5133477 0.90 TSHR (0.50) TSHRHPGDHCAR2THRBATM
SCHEMBL5051102 0.89 HPGD (0.37) TSHRHPGDHCAR2THRB
SCHEMBL6035615 0.88 TSHR (0.38) TSHRHPGDHCAR2THRBATM
Acrylic Acid Ethyl Ester SCHEMBL17956576 0.88 TSHR (0.52) TSHRHPGDHCAR2ATMALDH1A1
Methacrylic Acid SCHEMBL8025755 0.87 TSHR (0.51) TSHRHPGDHCAR2ATMALDH1A1
SCHEMBL6895973 0.86 HCAR2 (0.43) TSHRHPGDHCAR2ATMALDH1A1
SCHEMBL5054808 0.85 HCAR2 (0.31) HCAR2
SCHEMBL6706229 0.84 TSHR (0.46) TSHRHPGDHCAR2THRBATM
Acrylic Acid Methyl Ester SCHEMBL17956580 0.83 TSHR (0.49) TSHRHPGDHCAR2ATMALDH1A1

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-7273842-B1 Colorants, dispersants and dispersions containing polymeric nanoparticles ROHM AND HAAS COMPANY (US) 2007-09-25 US disclosed