SCHEMBL9637067

SCHEMBL9637067

C=CCOc1cc(C(=O)O)cc(O)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.54
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 3/20 0.52
TP53 P04637 2/20 0.52
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA3 P07451 2/20 0.52
CA4 P22748 2/20 0.52
CA6 P23280 2/20 0.52
CA5A P35218 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA14 Q9ULX7 2/20 0.52
CA5B Q9Y2D0 2/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52

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
Gallic Acid SCHEMBL29044565 0.83 KDM4E (0.61) PTGS2KDM4EALDH1A1TP53CA12
SCHEMBL5572235 0.83 GAA (0.50) PTGS2KDM4EALDH1A1TP53CA12
SCHEMBL5152770 0.83 KDM4E (0.59) PTGS2KDM4ECA12CA1CA2
SCHEMBL6579738 0.82 GAA (0.54) PTGS2KDM4EALDH1A1CA12CA1
SCHEMBL5152746 0.80 HSD17B2 (0.51) KDM4ECA12CA1CA2CA7
SCHEMBL5150421 0.80 NSD2 (0.64) KDM4EALDH1A1TP53LMNAMAPT
SCHEMBL5153115 0.78 ESR1 (0.55) KDM4EALDH1A1LMNATDP1POLB
SCHEMBL15312851 0.78 KDM4E (0.60) KDM4EALDH1A1CA12CA1CA2
SCHEMBL2980229 0.78 TSHR (0.52) KDM4EALDH1A1CA12CA1CA2
SCHEMBL13464234 0.77 PTGS2 (0.65) PTGS2KDM4EALDH1A1TP53CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111777706-B Preparation method of modified acrylic resin for boiler water treatment 青岛大凤仁源热能设备有限公司 2022-07-01 CN claimed
CN-111777706-A Preparation method of modified acrylic resin for boiler water treatment 青岛大凤仁源热能设备有限公司 2020-10-16 CN claimed
CN-111777706-B Preparation method of modified acrylic resin for boiler water treatment 青岛大凤仁源热能设备有限公司 2022-07-01 CN disclosed
CN-111777706-B Preparation method of modified acrylic resin for boiler water treatment 青岛大凤仁源热能设备有限公司 2022-07-01 CN disclosed
CN-111777706-A Preparation method of modified acrylic resin for boiler water treatment 青岛大凤仁源热能设备有限公司 2020-10-16 CN disclosed
CN-111777706-A Preparation method of modified acrylic resin for boiler water treatment 青岛大凤仁源热能设备有限公司 2020-10-16 CN disclosed
EP-0491600-A1 Process for the regiospecific monofunctionalisation of a phenolic hydroxy group of a polyphenol ROUSSEL UCLAF (FR) 1992-06-24 EP disclosed