SCHEMBL19204535

SCHEMBL19204535

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

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
ALDH1A1 P00352 3/20 0.38
THRB P10828 1/20 0.37
TRPA1 O75762 1/20 0.35
FAAH O00519 3/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL27653413 0.86 TSHR (0.66) TSHRALDH1A1THRB
SCHEMBL19196863 0.84 TSHR (0.53) TSHRALDH1A1THRBTRPA1CYP2C19
SCHEMBL160208 0.83 TSHR (0.73) TSHRALDH1A1THRB
SCHEMBL27653412 0.83 TSHR (0.61) TSHRALDH1A1THRB
SCHEMBL2927782 0.83 TSHR (0.61) TSHRALDH1A1THRBFAAH
SCHEMBL14562330 0.83 TSHR (0.61) TSHRALDH1A1THRBFAAHCNR1
SCHEMBL217999 0.83 TSHR (0.61) TSHRALDH1A1THRBFAAHCNR1
SCHEMBL8503165 0.82 TSHR (0.70) TSHRALDH1A1THRB
SCHEMBL5027278 0.82 TSHR (0.70) TSHRALDH1A1THRB
Water SCHEMBL7715061 0.82 TSHR (0.70) TSHRALDH1A1THRB

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