SCHEMBL19944374

SCHEMBL19944374

C=C(C)C(=O)OC(COc1ccc(CCOC)cc1)COc1ccc(CCOC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.48
ADRB1 P08588 3/20 0.48
CYP2D6 P10635 2/20 0.48
NR3C1 P04150 1/20 0.48
ADRA1A P35348 1/20 0.48
CYP2J2 P51589 1/20 0.48
PDE4D Q08499 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
PMP22 Q01453 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ACACB O00763 5/20 0.42
ACACA Q13085 1/20 0.42
ADRB3 P13945 1/20 0.42
AR P10275 1/20 0.39
ENPP2 Q13822 1/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 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
SCHEMBL19944371 0.86 ALDH1A1 (0.48) ACACBACACAARALDH1A1LMNA
SCHEMBL17036919 0.85 POLB (0.46) TDP1ARPOLBAPEX1HTT
SCHEMBL19944270 0.84 THRB (0.45) ALDH1A1
SCHEMBL19944267 0.83 RXRA (0.43) TDP1NPSR1ARPOLBAPEX1
SCHEMBL19944240 0.83 CYP2C9 (0.53) TDP1NPSR1ARPOLBAPEX1
SCHEMBL28537147 0.83 TDP1 (0.40) TDP1NPSR1ACACBARPOLB
SCHEMBL28729088 0.82 MTNR1A (0.46) TDP1ARPOLBAPEX1HTT
SCHEMBL19944334 0.82 LMNA (0.46) TDP1NPSR1ARPOLBAPEX1
SCHEMBL19944439 0.82 ADRB2 (0.48) ADRB2ADRB1CYP2D6NR3C1ADRA1A
SCHEMBL19944479 0.81 POLB (0.48) TDP1POLBAPEX1HTT

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
CN-109641831-B Monomers, polymers, preparation method and use thereof 东莞东阳光医疗智能器件研发有限公司 2021-09-10 CN disclosed
WO-2018041132-A1 MONOMER, POLYMER, PREPARATION METHOD THEREFOR AND USE THEREOF 广东东阳光药业有限公司 2018-03-08 WO disclosed