SCHEMBL19196863

SCHEMBL19196863

C=C(C)C(=O)OCC(COC(=O)C(=C)C)OC(=O)CBr

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
THRB P10828 1/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 1/20 0.38
TRPA1 O75762 1/20 0.36
PRKCA P17252 2/20 0.33
CYP2C19 P33261 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCD Q05655 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ENPP2 Q13822 1/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR3 Q9UBY5 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
SCHEMBL19197757 0.87 TSHR (0.59) TSHRTHRBALDH1A1LMNAPRKCA
SCHEMBL17577382 0.86 TSHR (0.50) TSHRTHRBALDH1A1LMNAPRKCA
SCHEMBL19204535 0.84 TSHR (0.61) TSHRTHRBALDH1A1TRPA1CYP2C19
SCHEMBL19039724 0.84 TSHR (0.55) TSHRTHRBALDH1A1LMNAPRKCA
SCHEMBL16803284 0.83 TSHR (0.63) TSHRTHRBALDH1A1LMNAPRKCA
SCHEMBL35507 0.83 TSHR (0.63) TSHRTHRBALDH1A1LMNAPRKCA
SCHEMBL5799342 0.82 TSHR (0.53) TSHRTHRBALDH1A1LMNAPRKCA
SCHEMBL6914907 0.81 TSHR (0.61) TSHRTHRBALDH1A1LMNAPRKCA
SCHEMBL20793424 0.81 TDP1 (0.42) ALDH1A1LMNATRPA1PRKCACYP2C19
SCHEMBL8923236 0.81 TSHR (0.52) TSHRTHRBALDH1A1LMNAPRKCA

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-20170219943-A1 ELECTROPHOTOGRAPHIC IMAGE SUPPORT Konica Minolta, Inc. (JP) 2017-08-03 US disclosed
US-20170219943-A1 ELECTROPHOTOGRAPHIC IMAGE SUPPORT Konica Minolta, Inc. (JP) 2017-08-03 US disclosed