SCHEMBL28707997

SCHEMBL28707997

C#Cc1ccc(OC(=O)C=C)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.50
HAO1 Q9UJM8 1/20 0.39
PDE6D O43924 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
EGFR P00533 1/20 0.34
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTPN1 P18031 1/20 0.33
ACACB O00763 1/20 0.33
THRA P10827 1/20 0.33

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
SCHEMBL16182694 0.84 THRB (0.53) THRBPDE6DKMT2ASMN1; SMN2ACACB
SCHEMBL12348184 0.84 THRB (0.53) THRBPDE6DKMT2ASMN1; SMN2ACACB
SCHEMBL2587522 0.83 THRB (0.64) THRBPDE6DEGFRHTTKMT2A
SCHEMBL27685122 0.82 THRB (0.51) THRBPDE6DEGFRKMT2ASMN1; SMN2
SCHEMBL343191 0.81 THRB (0.50) THRBCA1CA2CA9KMT2A
SCHEMBL22597090 0.80 THRB (0.67) THRBHTTKMT2A
SCHEMBL14775396 0.79 KMT2A (0.45) THRBHAO1CA12CA1CA2
SCHEMBL14275156 0.79 THRB (0.56) THRBHTTTDP1
SCHEMBL14558156 0.78 FFAR1 (0.54) THRBHAO1PDE6DACACB
SCHEMBL26862337 0.78 THRB (0.51) THRBHAO1PDE6DACACBTHRA

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-115558063-A Mineral admixture adaptive polycarboxylate superplasticizer and preparation method thereof 中建西部建设新材料科技有限公司 2023-01-03 CN disclosed
CN-114127046-A Fluorescence system for biological imaging and use thereof 莱托克斯有限公司 2022-03-01 CN disclosed