SCHEMBL11268433

SCHEMBL11268433

COc1c(C)c(C)c(Br)c(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.40
CA4 P22748 3/20 0.40
CA1 P00915 1/20 0.40
CA6 P23280 1/20 0.40
PTPN1 P18031 1/20 0.39
IMPDH2 P12268 3/20 0.34
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
PPARG P37231 1/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA1 Q15788 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ACHE P22303 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL14098922 0.91 CA2 (0.39) CA2CA4CA1CA6PTPN1
SCHEMBL1783863 0.85 CA2 (0.39) CA2CA4CA1CA6PTPN1
SCHEMBL17772634 0.85 CA2 (0.39) CA2CA4CA1CA6PTPN1
SCHEMBL2952712 0.83 ACHE (0.40) CA2CA4CA1CA6ALDH1A1
SCHEMBL8250446 0.82 CA2 (0.42) CA2CA4CA1CA6PTPN1
SCHEMBL9814080 0.82 CA2 (0.42) CA2CA4CA1CA6PTPN1
SCHEMBL21883813 0.81 CA2 (0.40) CA2CA4CA1CA6PTPN1
SCHEMBL13664125 0.80 CA2 (0.36) CA2CA4CA1CA6PTPN1
SCHEMBL85826 0.79 ACHE (0.38) ALDH1A1SMN1; SMN2ACHE
SCHEMBL14946904 0.79 CA2 (0.39) CA2CA4CA1CA6PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115073625-B Reduced and oxidized polysaccharides and methods of use thereof 哈佛学院院长等 2024-01-16 CN disclosed
CN-115073625-A Reduced and oxidized polysaccharides and methods of use thereof 哈佛学院院长等 2022-09-20 CN disclosed
CN-108430458-B Reduced and oxidized polysaccharides and methods of use thereof 哈佛学院院长等 2022-05-10 CN disclosed
US-4361573-A α,α-Diaryl-β-(tert-amino)-propanols and diuretic pharmaceutical compositions containing them TEMMLER AG (CH) 1982-11-30 US disclosed
US-4025633-A DIURETICS, SALURETICS FIRMA TEMMLER A.G. (CH) 1977-05-24 US disclosed