SCHEMBL25200752

SCHEMBL25200752

CC(C)=CCc1c(O)c(O)c2oc3ccccc3c(=O)c2c1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.69
RELA Q04206 3/20 0.64
MGAM O43451 3/20 0.64
GAA P10253 3/20 0.64
SI P14410 3/20 0.64
PTPN1 P18031 3/20 0.64
MGAM2 Q2M2H8 3/20 0.64
VKORC1 Q9BQB6 2/20 0.62
NUDT1 P36639 2/20 0.62
UBE2M P61081 1/20 0.54
SIRT1 Q96EB6 1/20 0.54
MAOA P21397 4/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
CYP19A1 P11511 1/20 0.52
XBP1 P17861 1/20 0.52
MAPK1 P28482 1/20 0.52
FASN P49327 1/20 0.52
BLM P54132 1/20 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
SCHEMBL25196944 0.90 IKBKB (0.72) IKBKBRELAMGAMGAASI
SCHEMBL24075575 0.81 NUDT1 (0.77) IKBKBRELAMGAMGAASI
SCHEMBL17057020 0.81 CYP19A1 (0.59) RELAMGAMGAASIPTPN1
SCHEMBL30145001 0.78 PTPN1 (1.00) IKBKBRELAMGAMGAASI
SCHEMBL31321775 0.78 PTPN1 (0.83) IKBKBRELAMGAMGAASI
SCHEMBL10322106 0.78 PTPN1 (1.00) IKBKBRELAMGAMGAASI
SCHEMBL1444670 0.78 KDM5A (0.65) MGAMGAASIMGAM2MAOA
SCHEMBL3130212 0.77 IKBKB (0.61) IKBKBRELAMGAMGAASI
8-Deoxygartanin SCHEMBL17056909 0.77 RELA (1.00) IKBKBRELAMGAMGAASI
8-Deoxygartanin SCHEMBL30977126 0.77 RELA (1.00) IKBKBRELAMGAMGAASI

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
WO-2023099609-A1 COMPOSITIONS AND METHODS FOR CONTROLLING PHYTOPATHOGENIC INFECTIONS INSTITUT NATIONAL DE RECHERCHE POUR L'AGRICULTURE, L'ALIMENTATION ET L'ENVIRONNEMENT (INRAE) (FR) 2023-06-08 WO claimed
EP-4186367-A1 COMPOSITIONS AND METHODS FOR CONTROLLING PHYTOPATHOGENIC INFECTIONS Institut national de recherche pour l'agriculture, l'alimentation et l'environnement (INRAE) (FR) 2023-05-31 EP claimed
WO-2024035859-A1 COMBINATION THERAPIES FOR TREATING INFLAMMATION FLAGSHIP PIONEERING INNOVATIONS VI, LLC (US) 2024-02-15 WO disclosed
WO-2023099609-A1 COMPOSITIONS AND METHODS FOR CONTROLLING PHYTOPATHOGENIC INFECTIONS INSTITUT NATIONAL DE RECHERCHE POUR L'AGRICULTURE, L'ALIMENTATION ET L'ENVIRONNEMENT (INRAE) (FR) 2023-06-08 WO disclosed
EP-4186367-A1 COMPOSITIONS AND METHODS FOR CONTROLLING PHYTOPATHOGENIC INFECTIONS Institut national de recherche pour l'agriculture, l'alimentation et l'environnement (INRAE) (FR) 2023-05-31 EP disclosed