SCHEMBL19944346

SCHEMBL19944346

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.48
MAOB P27338 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
ACACB O00763 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 1/20 0.40
HSP90AA1 P07900 1/20 0.40
GAA P10253 1/20 0.39
FKBP1A P62942 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
SCHEMBL19944362 0.89 ACACB (0.46) THRBACACBALDH1A1LMNAMAPT
SCHEMBL19944472 0.89 THRB (0.64) THRBACACBALDH1A1LMNAKMT2A
SCHEMBL19944445 0.86 THRB (0.60) THRBALDH1A1HPGDKMT2A
SCHEMBL19944710 0.85 THRB (0.48) THRBHPGD
SCHEMBL19944466 0.85 CYP2C9 (0.53) THRBMAOBALDH1A1MAPTKMT2A
SCHEMBL13865592 0.84 THRB (0.43) THRBMAOBRXRARXRBMAPT
SCHEMBL19944439 0.83 ADRB2 (0.48) THRBACACBALDH1A1LMNAKMT2A
SCHEMBL19944469 0.83 MAPK1 (0.48) ALDH1A1GAA
SCHEMBL12607101 0.83 THRB (0.41) THRBMAOBLMNAMAPT
SCHEMBL19944471 0.83 THRB (0.46) THRBLMNA

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