SCHEMBL6293391

SCHEMBL6293391

CC(C)(Oc1c(Cl)cc(Cl)cc1Cl)C(=O)O.COc1ccc(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.49
PPARA Q07869 4/20 0.49
MAPT P10636 4/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
MRGPRX4 Q96LA9 2/20 0.45
FABP2 P12104 1/20 0.43
PPARG P37231 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
TDP1 Q9NUW8 3/20 0.43
TSHR P16473 2/20 0.43
ADRB2 P07550 1/20 0.42
ACLY P53396 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
PPARD Q03181 1/20 0.39

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
SCHEMBL5157423 0.85 PPARA (0.55) PPARAMAPTKMT2AMEN1CYP1A2
SCHEMBL581884 0.84 PPARA (0.59) TTRPPARAMAPTKMT2AMEN1
SCHEMBL987343 0.76 PPARA (0.67) TTRPPARAMAPTKMT2AMEN1
SCHEMBL196490 0.74 TTR (0.62) TTRMAPTKMT2AMEN1MRGPRX4
SCHEMBL29687129 0.74 TTR (0.62) TTRMAPTKMT2AMEN1MRGPRX4
SCHEMBL7978183 0.73 PPARA (0.57) PPARAMAPTKMT2AMEN1CYP1A2
SCHEMBL1331593 0.73 PPARA (0.57) TTRPPARAMAPTKMT2AMEN1
Ammonia Solution, Strong SCHEMBL4261558 0.73 TTR (0.61) TTRMAPTKMT2AMEN1MRGPRX4
SCHEMBL29306632 0.72 PPARA (0.51) PPARAMAPTKMT2AMEN1CYP1A2
SCHEMBL20659600 0.72 PPARA (0.47) PPARAMAPTKMT2AMEN1CYP1A2

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-6897065-B1 Method for maturation of conifer somatic embryos WOODY PLANT BIOTECH APS (DK) 2005-05-24 US disclosed