SCHEMBL10397261

SCHEMBL10397261

O=C1OC(=O)c2c(Br)c(Cl)c(Cl)c(Cl)c21

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.71
ALDH1A1 P00352 2/20 0.71
UCHL1 P09936 1/20 0.33
UCHL3 P15374 1/20 0.33
ECE1 P42892 1/20 0.33
MUS81 Q96NY9 1/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
BRCA1 P38398 1/20 0.33
RECQL P46063 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL30361965 0.93 TSHR (0.65) TSHRALDH1A1
SCHEMBL9822841 0.93 TSHR (0.65) TSHRALDH1A1
SCHEMBL10397991 0.91 TSHR (0.64) TSHRALDH1A1
SCHEMBL9671421 0.88 TSHR (0.67) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL21861 0.84 TSHR (1.00) TSHRALDH1A1UCHL1UCHL3ECE1
SCHEMBL30354042 0.84 TSHR (1.00) TSHRALDH1A1UCHL1UCHL3ECE1
SCHEMBL195217 0.83 TSHR (0.67) TSHRALDH1A1
SCHEMBL9672390 0.82 TSHR (0.65) TSHRALDH1A1
Water SCHEMBL28019026 0.82 TSHR (0.94) TSHRALDH1A1UCHL1UCHL3ECE1
SCHEMBL195216 0.81 TSHR (0.71) TSHRALDH1A1

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-4978699-A Reaction product of hindered amine with primary amine or reactive hydrazide group and halogenated cyclic anhydride; for extrusion with polymers ATOCHEM NORTH AMERICA, INC. (US) 1990-12-18 US disclosed
EP-0366057-A2 Light stabilizing flame retardants ATOCHEM NORTH AMERICA, INC. (a Pennsylvania corp.) (US) 1990-05-02 EP disclosed