SCHEMBL19944362

SCHEMBL19944362

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.46
NQO1 P15559 1/20 0.45
PARP10 Q53GL7 1/20 0.45
THRB P10828 1/20 0.44
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.43
POLB P06746 2/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 2/20 0.42
PLK1 P53350 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TET3 O43151 1/20 0.41
FBXL19 Q6PCT2 1/20 0.41
CXXC5 Q7LFL8 1/20 0.41
TET1 Q8NFU7 1/20 0.41

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
SCHEMBL19944346 0.89 THRB (0.48) ACACBTHRBMAPTNPC1RAB9A
SCHEMBL19944710 0.89 THRB (0.48) THRBHPGD
SCHEMBL19944466 0.89 CYP2C9 (0.53) THRBMAPTKMT2AALDH1A1
SCHEMBL12607101 0.87 THRB (0.41) THRBMAPTPOLBLMNACYP1A2
SCHEMBL19944472 0.87 THRB (0.64) ACACBTHRBKMT2AMEN1LMNA
SCHEMBL4759200 0.86 KDM4E (0.40) THRBMAPTPOLBSMN1; SMN2KMT2A
SCHEMBL15385985 0.86 THRB (0.48) THRBMAPTPOLBSMN1; SMN2LMNA
SCHEMBL5088322 0.85 THRB (0.57) THRBMAPTPOLBRAB9ASMN1; SMN2
SCHEMBL19624192 0.85 KMT2A (0.48) PARP10THRBMAPTNPC1POLB
SCHEMBL19944445 0.84 THRB (0.60) THRBKMT2AMEN1ALDH1A1HPGD

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