SCHEMBL9761825

SCHEMBL9761825

O=C(O)c1cccc2cc(CO)ccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.62
TBXAS1 P24557 1/20 0.57
NR4A1 P22736 1/20 0.56
NR4A2 P43354 1/20 0.56
NR4A3 Q92570 1/20 0.56
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA3 P07451 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
DHODH Q02127 1/20 0.48
ACMSD Q8TDX5 1/20 0.46
CDC25B P30305 2/20 0.46
GRIN2D O15399 1/20 0.45
GRIN2A Q12879 1/20 0.45

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
SCHEMBL18074888 0.88 NR4A1 (0.56) PTPN1TBXAS1NR4A1NR4A2NR4A3
SCHEMBL345159 0.85 PTPN1 (0.60) PTPN1TBXAS1NR4A1NR4A2NR4A3
SCHEMBL343405 0.82 PTPN1 (0.57) PTPN1TBXAS1NR4A1NR4A2NR4A3
SCHEMBL28144052 0.82 PTPN1 (0.57) PTPN1TBXAS1NR4A1NR4A2NR4A3
SCHEMBL12503256 0.82 DHODH (0.59) PTPN1TBXAS1NR4A1NR4A2NR4A3
SCHEMBL27592569 0.81 CA12 (0.53) CA12CA2CA3CA6CA7
SCHEMBL21585555 0.81 NR4A1 (0.53) PTPN1NR4A1NR4A2NR4A3CDC25B
SCHEMBL343983 0.80 PTPN1 (0.54) PTPN1TBXAS1NR4A1NR4A2NR4A3
SCHEMBL344105 0.79 KAT8 (0.57) PTPN1TBXAS1NR4A1NR4A2NR4A3
SCHEMBL2709291 0.79 TBXAS1 (0.60) PTPN1TBXAS1NR4A1NR4A2NR4A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109970921-B High-water-reduction low-sensitivity polycarboxylate superplasticizer and preparation method thereof 科之杰新材料集团有限公司 2020-07-03 CN claimed
CN-109970921-B High-water-reduction low-sensitivity polycarboxylate superplasticizer and preparation method thereof 科之杰新材料集团有限公司 2020-07-03 CN disclosed
US-4983756-A DIAGNOSING LIVER, KIDNEY DISORDERS NITTO BOSEKI CO., LTD. (JP) 1991-01-08 US disclosed