SCHEMBL28754200

SCHEMBL28754200

COC(=O)C(C)=C(c1ccccc1)C(C)N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
SLC7A5 Q01650 1/20 0.39
KMT2A Q03164 4/20 0.39
SLC1A2 P43004 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
PTGS2 P35354 2/20 0.38
PTGS1 P23219 1/20 0.38
SRC P12931 1/20 0.38
ESRRB O95718 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL16697813 0.82 CES1 (0.42) TSHRSLC7A5KMT2ASLC1A2TAAR1
SCHEMBL28334966 0.78 TSHR (0.40) TSHRSLC7A5KMT2ATAAR1PTGS2
SCHEMBL14868118 0.76 TSHR (0.56) TSHRKMT2ASRCSMN1; SMN2KDM4E
SCHEMBL15081529 0.76 TSHR (0.56) TSHRKMT2ASRCSMN1; SMN2KDM4E
SCHEMBL14868116 0.76 TSHR (0.56) TSHRKMT2ASRCSMN1; SMN2KDM4E
SCHEMBL28375112 0.74 TSHR (0.54) TSHRKMT2ASRCSMN1; SMN2KDM4E
SCHEMBL1158705 0.74 TSHR (0.54) TSHRKMT2ASRCESRRBSMN1; SMN2
SCHEMBL27941236 0.74 TSHR (0.48) TSHRKMT2APTGS2PTGS1SRC
SCHEMBL28374366 0.73 TSHR (0.52) TSHRKMT2ASRCSMN1; SMN2GAA
SCHEMBL17428 0.72 TSHR (0.47) TSHRKMT2APTGS2PTGS1SRC

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114634602-B Preparation method of hyperbranched solid polycarboxylate superplasticizer 济南城建集团有限公司 2022-07-29 CN claimed
CN-114634602-A Hyperbranched solid polycarboxylic acid water reducing agent and preparation method thereof 济南城建集团有限公司 2022-06-17 CN claimed
CN-114634602-B Preparation method of hyperbranched solid polycarboxylate superplasticizer 济南城建集团有限公司 2022-07-29 CN disclosed
CN-114634602-A Hyperbranched solid polycarboxylic acid water reducing agent and preparation method thereof 济南城建集团有限公司 2022-06-17 CN disclosed