SCHEMBL3078

SCHEMBL3078

[C]1=CCc2ccccc2O1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
ABCG2 Q9UNQ0 1/20 0.35
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
OXTR P30559 1/20 0.34
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 2/20 0.31
CRHBP P24387 2/20 0.31
CRHR2 Q13324 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL231836 0.77 MAOA (0.38) MAOAMAOBABCG2ITGB2ICAM1
SCHEMBL451383 0.74
SCHEMBL449871 0.74
SCHEMBL2287056 0.73 CA1 (0.33) GAA
SCHEMBL231837 0.71 MAOA (0.37) MAOAMAOBABCG2ITGB2ICAM1
SCHEMBL654481 0.70 MAOA (0.35) MAOAMAOBABCG2ITGB2ICAM1
SCHEMBL449729 0.70
SCHEMBL654480 0.70 MAOA (0.35) MAOAMAOBABCG2ITGB2ICAM1
SCHEMBL44526 0.70 ABCG2 (0.44) MAOAMAOBABCG2ITGB2ICAM1
SCHEMBL3128 0.68

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

Appears in 39876 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118324686-A Diazacyclo compound, cyclic trimethylcyanine compound, preparation methods thereof, imaging agent and application 南京大学 2024-07-12 CN claimed
WO-2024139260-A1 ALLICIN DERIVATIVES, PREPARATION METHOD THEREFOR, AND USES THEREOF 成都新朝阳作物科学股份有限公司 2024-07-04 WO claimed
WO-2024145585-A1 COMPOUNDS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-07-04 WO claimed
WO-2024131776-A1 BUFALIN DERIVATIVE AND PREPARATION METHOD THEREFOR, COMPOSITION, PREPARATION, AND APPLICATION 上海邈基生物科技有限公司 2024-06-27 WO claimed
US-12018030-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors VALO HEALTH, INC. (US) 2024-06-25 US claimed
CN-118234721-A Isoindolinone derivative with glutarimide mother nucleus and application thereof 韩国化学研究院 2024-06-21 CN claimed
CN-118201911-A Compounds and their use as GPR183 inhibitors 南京艾美斐生物医药科技有限公司 2024-06-14 CN claimed
WO-2024114765-A1 BENZOPYRONE COMPOUNDS AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF 成都地奥九泓制药厂 2024-06-06 WO claimed
CN-118063494-A Organic electroluminescent compound with core structure of boron-containing polycyclic aza-aromatic hydrocarbon and application thereof 吉林省元合电子材料有限公司 2024-05-24 CN claimed
CN-112424185-B Benzene ring-containing compound, preparation method and application thereof 广州丹康医药生物有限公司 2024-05-17 CN claimed
US-4560508-A BETA-LACTAMASE INHIBITORS, ANINICROBIAL AGENT, CHEMICAL INTERMEDIATE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-12-24 US claimed
EP-0041675-B1 4-HALOGEN-5-(TRICHLOROMETHYL-PHENYL)-OXAZOLE DERIVATIVES, PROCESS FOR PREPARING THEM AND RADIATION-SENSITIVE COMPOSITIONS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1985-12-11 EP claimed
US-4550105-A BETA-LACTAMASE INHIBITORS, ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-29 US claimed
US-4533495-A Method of producing 2-azetidinone-1-sulfonic acid compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-08-06 US claimed
EP-0064255-B1 BENZOPYRANYL ETHERS, PROCESS FOR THEIR PREPARATION AND MEDICINE CONTAINING THOSE COMPOUNDS AND INTERMEDIATES Roche Diagnostics GmbH (DE) 1984-12-12 EP claimed
US-4416817-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-11-22 US claimed
EP-0014402-B1 NOVEL 20-0-ACYLMAYTANSINOIDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Takeda Chemical Industries, Ltd. (JP) 1983-07-20 EP claimed
US-4307016-A FUNGICIDES, PROTOZOACIDES OR ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-12-22 US claimed
US-4294757-A BLEACHING CELLULOSE FIBERS AND ADDITION OF ALKALI METAL POLYPHOSPHATES AND ALKALI METAL DIETHYLENETRIAMINE PENTA(METHYLENE PHOSPHONAT) TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1981-10-13 US claimed
US-4256746-A ANTITUMOR AGENTS; MICROBIOCIDES; MITOSIS TAKEDA CHEMICAL INDUSTRIES (JP) 1981-03-17 US claimed