SCHEMBL28865352

SCHEMBL28865352

C=CC(=O)OC(CCC)COc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.49
LMNA P02545 2/20 0.41
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
GPR88 Q9GZN0 1/20 0.39
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL232072 0.90 THRB (0.45) THRBLMNATDP1MEN1TSHR
SCHEMBL2780133 0.89 THRB (0.51) THRB
SCHEMBL5088322 0.88 THRB (0.57) THRBLMNAMTNR1AMTNR1BPOLB
SCHEMBL15385985 0.85 THRB (0.48) THRBLMNAMTNR1AMTNR1BTDP1
SCHEMBL28727720 0.84 THRB (0.54) THRBLMNAMTNR1AMTNR1BPOLB
SCHEMBL28325730 0.84 THRB (0.53) THRBLMNAMTNR1AMTNR1BPOLB
SCHEMBL18492261 0.84 THRB (0.53) THRBLMNAMTNR1AMTNR1BPOLB
SCHEMBL29118732 0.83 ABCB1 (0.47) LMNAMAPTMEN1TSHRALOX12
SCHEMBL17231286 0.83 THRB (0.59) THRBLMNAMTNR1AMTNR1BPOLB
SCHEMBL14546497 0.83 THRB (0.51) THRBLMNAMTNR1AMTNR1BMAPT

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
CN-115073661-A Resin composition and display device using same 三星显示有限公司 2022-09-20 CN disclosed