SCHEMBL543980

SCHEMBL543980

CCOC(=O)c1cccc2c1C(=O)NC2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 2/20 0.55
CYP1A2 P05177 2/20 0.55
USP2 O75604 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
ALOX15 P16050 1/20 0.55
CYP2C19 P33261 1/20 0.55
MAPK10 P53779 1/20 0.55
PTK2B Q14289 1/20 0.55
NCOA1 Q15788 1/20 0.55
NCOA3 Q9Y6Q9 1/20 0.55
TSHR P16473 1/20 0.54
PDK2 Q15119 1/20 0.53
CLEC4M Q9H2X3 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 3/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL11782331 0.86 TSHR (0.59) MAPTCYP3A4TSHRPDK2ALDH1A1
Diethyl Phthalate SCHEMBL27518710 0.86 TSHR (0.70) MEN1KMT2AMAPTCYP1A2USP2
SCHEMBL7104034 0.85 TSHR (0.60) CYP3A4TSHRPDK2ALDH1A1HSD17B10
SCHEMBL27384611 0.84 CDC25B (0.58) MEN1KMT2AMAPTCYP1A2USP2
SCHEMBL5077444 0.84 ALDH1A1 (0.61) MAPTCYP3A4TSHRPDK2ALDH1A1
SCHEMBL2424940 0.83 KDM4E (0.54) MEN1KMT2AMAPTCYP1A2USP2
SCHEMBL6030289 0.81 CASP3 (0.58) KMT2AMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL2823345 0.81 KDM4E (0.47) MAPK10ALDH1A1HSD17B10KDM4EGAA
SCHEMBL28222650 0.79 KDM4E (0.47) PDK2ALDH1A1HSD17B10KDM4EGAA
SCHEMBL2238761 0.77 ALDH1A1 (0.53) MEN1KMT2AMAPTCYP1A2CYP3A4

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 217 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0294818-A2 Hindered amine light stabilizers containing aromatic carboxy groups and derivatives ELF ATOCHEM NORTH AMERICA, INC. (US) 1988-12-14 EP claimed
EP-4240736-A1 PPAR GAMMA MODULATORS AND METHODS OF USE Eisai R&D Management Co., Ltd. (JP) 2023-09-13 EP disclosed
WO-2023049887-A1 IMIDAZOPYRIDAZINE IL-17 INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-03-30 WO disclosed
WO-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 WO disclosed
CN-111018664-A Synthesis method of 2-alkyl-1, 3-propanediol compound 江苏广域化学有限公司 2020-04-17 CN disclosed
CN-109476639-A Pyrrolidin derivatives 橘生药品工业股份有限公司 2019-03-15 CN disclosed
EP-3310776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE Pharmacyclics LLC (US) 2018-04-25 EP disclosed
WO-2016196776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC. (US) 2016-12-08 WO disclosed
WO-2016147132-A1 A PROCESS FOR THE PREPARATION OF DROXIDOPA Piramal Enterprises Limited (IN) 2016-09-22 WO disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
US-4342765-A Guanidine derivatives and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-08-03 US disclosed
US-4323704-A ENZYME INHIBITORS USEFUL AGAINST BACTERIA, FUNGUS AND VIRAL INFECTIONS, MALE ANTIFERTILITY AGENTS, IMMUNO-SUPPRESSANTS, AND ANTITUMOR ACTIVITY MERRELL TORAUDE ET COMPAGNIE (FR) 1982-04-06 US disclosed
EP-0046711-A1 Fluorinated amino-butyric acid and diaminobutane derivatives MERRELL TORAUDE ET COMPAGNIE (FR) 1982-03-03 EP disclosed
EP-0046712-A1 Fluorinated diaminobutane derivatives MERRELL TORAUDE ET COMPAGNIE (FR) 1982-03-03 EP disclosed
US-4267374-A BACTERICIDES; VIRICIDES; FUNGICIDES; INHIBITORS OF HYDROLASE ENZYMES; INTERMEDIATE FOR CEPHALOSPORIN COMPOUND MERRELL TORAUDE ET COMPAGNIE (FR) 1981-05-12 US disclosed
US-4232164-A Purification of AT-125 THE UPJOHN COMPANY (US) 1980-11-04 US disclosed
US-4225720-A Purification of AT-125 THE UPJOHN COMPANY (US) 1980-09-30 US disclosed
EP-0014057-A1 Guanidine derivatives, processes for their manufacture and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-08-06 EP disclosed
US-4139563-A ENZYME INHIBITORS, ANTIFERTILITY AGENTS, IMMUNOSUPPRESSIVES, ANTITUMOR AGENTS MERRELL TORAUDE ET COMPAGNIE (FR) 1979-02-13 US disclosed
US-4134918-A ENZYME INHIBITORS, ANTIBODY INHIBITORS MERRELL TORAUDE ET COMPAGNIE (FR) 1979-01-16 US disclosed