SCHEMBL8620233

SCHEMBL8620233

C=C(C)C(=O)OCC.C=CC(=O)OC(CC)CCCCC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.44
HPGD P15428 1/20 0.40
THRB P10828 2/20 0.36
FAAH O00519 3/20 0.34
PRKCA P17252 1/20 0.33
PRKCD Q05655 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CTSK P43235 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GLO1 Q04760 1/20 0.31

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
SCHEMBL9186055 0.91 TSHR (0.54) TSHRHPGDTHRBFAAHPRKCA
SCHEMBL29362857 0.91 TSHR (0.42) TSHRHPGDTHRBFAAHPRKCA
SCHEMBL5477404 0.90 TSHR (0.60) TSHRHPGDTHRBFAAHALDH1A1
SCHEMBL5270024 0.90 TSHR (0.60) TSHRHPGDTHRBFAAHALDH1A1
SCHEMBL8501557 0.89 TSHR (0.51) TSHRHPGDTHRBFAAHPRKCA
SCHEMBL7647460 0.89 TSHR (0.48) TSHRHPGDTHRBFAAHPRKCA
SCHEMBL5336277 0.88 ALDH1A1 (0.41) TSHRHPGDTHRBPRKCAPRKCD
Methacrylic Acid SCHEMBL16932495 0.86 TSHR (0.43) TSHRHPGDTHRBFAAHPRKCA
SCHEMBL16008 0.86 TSHR (0.50) TSHRHPGDTHRBPRKCAPRKCD
SCHEMBL29026124 0.86 TSHR (0.39) TSHRHPGDTHRBFAAHPRKCA

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-5712336-A Flameproofed thermoplastic molding materials BASF AKTIENGESELLSCHAFT (DE) 1998-01-27 US disclosed