SCHEMBL29257012

SCHEMBL29257012

CCOC(=O)c1cc(O)c2c(N)cccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.56
CA12 O43570 4/20 0.51
CA1 P00915 4/20 0.51
CA2 P00918 4/20 0.51
CA7 P43166 4/20 0.51
CA9 Q16790 4/20 0.51
CA14 Q9ULX7 4/20 0.51
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAOA P21397 2/20 0.46
CYP1A2 P05177 2/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
BCL2L1 Q07817 1/20 0.46
CDC25B P30305 2/20 0.45
MAOB P27338 1/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
HSD17B2 P37059 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL29979507 0.83 PTPN11 (0.57) PTPN11CA12CA1CA2CA7
SCHEMBL2805200 0.83 PTPN11 (0.57) PTPN11CA12CA1CA2CA7
SCHEMBL15286078 0.83 PTPN11 (0.56) PTPN11CA12CA1CA2CA7
SCHEMBL342407 0.77 MEN1 (0.59) PTPN11CA12CA1CA2CA7
SCHEMBL10392247 0.77 CDC25B (0.56) CA12CA1CA2CA7CA9
SCHEMBL163865 0.77 CA12 (0.57) PTPN11CA12CA1CA2CA7
SCHEMBL10391503 0.74 CDC25B (0.56) CA12CA1CA2CA7CA9
Ethylgallate SCHEMBL7744669 0.74 CA12 (0.62) PTPN11CA12CA1CA2CA7
SCHEMBL29099717 0.74 CA12 (0.79) CA12CA1CA2CA7CA9
SCHEMBL11256001 0.74 CA12 (0.58) PTPN11CA12CA1CA2CA7

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-116730657-B Cold patch asphalt mixture and preparation method thereof 芜湖城瑞路桥建设有限公司 2024-07-12 CN claimed
CN-116730657-A Cold patch asphalt mixture and preparation method thereof 芜湖城瑞路桥建设有限公司 2023-09-12 CN claimed
CN-116730657-B Cold patch asphalt mixture and preparation method thereof 芜湖城瑞路桥建设有限公司 2024-07-12 CN disclosed
CN-116730657-A Cold patch asphalt mixture and preparation method thereof 芜湖城瑞路桥建设有限公司 2023-09-12 CN disclosed