SCHEMBL198173

SCHEMBL198173

CC=Cc1cc(OC)c(O)c(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.57
PTGS1 P23219 2/20 0.57
PTGS2 P35354 1/20 0.57
PTPN2 P17706 2/20 0.54
PTPN1 P18031 2/20 0.54
PTPN6 P29350 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2B6 P20813 1/20 0.54
GAA P10253 2/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
GFER P55789 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PIM1 P11309 3/20 0.51
KDM4E B2RXH2 2/20 0.50

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
SCHEMBL28763188 0.87 CYP1A2 (0.54) PKMPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL29864822 0.87 CYP1A2 (0.54) PKMPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL31742415 0.86 PKM (0.79) PKMPTGS1PTGS2PTPN2PTPN1
SCHEMBL31742413 0.86 PKM (0.79) PKMPTGS1PTGS2PTPN2PTPN1
SCHEMBL31361998 0.86 PKM (0.79) PKMPTGS1PTGS2PTPN2PTPN1
SCHEMBL29954196 0.83 PKM (0.51) PKMPTGS1PTGS2PTPN2PTPN1
SCHEMBL1981806 0.83 PKM (0.51) PKMPTGS1PTGS2PTPN2PTPN1
SCHEMBL5613121 0.83 ALOX5 (0.68) PKMPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL5613124 0.83 ALOX5 (0.68) PKMPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL424528 0.82 ABL1 (0.66) PKMPTGS1PTGS2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024117177-A1 FOOD/BEVERAGE COMPOSITION 花王株式会社 2024-06-06 WO disclosed
WO-2024117175-A1 TEA BEVERAGE 花王株式会社 2024-06-06 WO disclosed
WO-2024117176-A1 FOOD AND DRINK COMPOSITION 花王株式会社 2024-06-06 WO disclosed
WO-2024075680-A1 ORAL COMPOSITION 花王株式会社 2024-04-11 WO disclosed
WO-2024075681-A1 ORAL COMPOSITION 花王株式会社 2024-04-11 WO disclosed
CN-109307721-B Detection method for determining content of effective components in leech capsule by HPLC-QQQ/MS method 陕西步长制药有限公司 2021-01-05 CN disclosed
US-8088975-B2 Phenylpropanoid related regulatory protein-regulatory region associations CERES, INC. (US) 2012-01-03 US disclosed
EP-1981980-A2 METHODS AND COMPOSITIONS FOR MODIFYING PLANT BIOSYNTHETIC PATHWAYS THE SAMUEL ROBERTS NOBLE FOUNDATION, INC. (US) 2008-10-22 EP disclosed
WO-2007092934-A2 METHODS AND COMPOSITIONS FOR MODIFYING PLANT BIOSYNTHETIC PATHWAYS THE SAMUEL ROBERTS NOBLE FOUNDATION, INC. (US) 2007-08-16 WO disclosed
EP-0904396-A2 PRODUCTION OF VANILLIN INSTITUTE OF FOOD RESEARCH (GB) 1999-03-31 EP disclosed
WO-1997035999-A2 PRODUCTION OF VANILLIN INSTITUTE OF FOOD RESEARCH (GB) 1997-10-02 WO disclosed