SCHEMBL8674

SCHEMBL8674

COc1c[c]ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.46
CA1 P00915 6/20 0.46
CA7 P43166 5/20 0.46
CA9 Q16790 5/20 0.46
CA12 O43570 4/20 0.46
CA14 Q9ULX7 4/20 0.46
CA4 P22748 2/20 0.46
ACHE P22303 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPK1 P28482 3/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 4/20 0.32
CYP3A4 P08684 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.32
TP53 P04637 2/20 0.32
ADRA2B P18089 1/20 0.32

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
SCHEMBL28251730 0.97 CA2 (0.43) CA2CA1CA7CA9CA12
SCHEMBL27494520 0.97 CA2 (0.43) CA2CA1CA7CA9CA12
SCHEMBL2138768 0.97 CA2 (0.43) CA2CA1CA7CA9CA12
SCHEMBL27638880 0.91 CA2 (0.39) CA2CA1CA7CA9CA12
SCHEMBL27879858 0.89 CA2 (0.37) CA2CA1CA7CA9CA12
SCHEMBL9407196 0.89 CA1 (0.42) CA2CA1CA7CA9CA12
SCHEMBL542567 0.83 NPSR1 (0.35) CA2CA1CA7CA9CA12
SCHEMBL182827 0.83 MAPT (0.46) ALDH1A1MAPK1L3MBTL1TSHRTP53
SCHEMBL159256 0.83 KDM4E (0.42) CA2CA1CA7CA9CA12
SCHEMBL316596 0.83 CA12 (0.36) CA2CA1CA7CA9CA12

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 15668 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118307569-A 2-Aryl-4-boron heterocyclic compound, and stereoselective preparation method and application thereof 武汉大学 2024-07-09 CN claimed
CN-116332908-B SHP2 allosteric inhibitor and preparation method and application thereof 杭州医学院 2024-07-02 CN claimed
CN-118265702-A Microbiocidal isonicotinamide derivatives 先正达农作物保护股份公司 2024-06-28 CN claimed
US-12020872-B2 Stilbene and fused stilbene derivatives as solar cell dyes Ambient Photonics, Inc. (US) 2024-06-25 US claimed
CN-118239868-A Carbamate substituted styryl sulfone compound and preparation method and application thereof 华夏生生药业(北京)有限公司 2024-06-25 CN claimed
CN-118221922-A Cobalt-based catalyst composition and method for preparing polyester by catalyzing copolymerization of epoxy and carbon monoxide 中山大学 2024-06-21 CN claimed
US-20240199623-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINES AS CFTR MODULATORS ILDONG PHARMACEUTICAL CO., LTD. (KR) 2024-06-20 US claimed
CN-118206551-A Quinoline compounds, their preparation and their use as antimalarial agents 美国卫生和人力服务部 2024-06-18 CN claimed
US-20240182471-A1 METHODS AND COMPOSITIONS FOR SUBSTITUTED ARYLCYCLOHEPTANE ANALOGS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2024-06-06 US claimed
CN-114891019-B Continuous flow preparation method of vinyl thioether compound 复旦大学 2024-06-04 CN claimed
US-4011262-A 13,14-Dihydro-15-substituted-ω-pentanorprostaglandins of the two series PFIZER INC. (US) 1977-03-08 US claimed
US-3984424-A MEDICAMENTS PFIZER INC. (US) 1976-10-05 US claimed
US-3981716-A CORN, WEEDS STAUFFER CHEMICAL COMPANY (US) 1976-09-21 US claimed
US-3974213-A 13,14-Dihydro-15-substituted-ω-pentanorprostaglandins PFIZER INC. (US) 1976-08-10 US claimed
US-3968214-A 5-Methylthio-pyrimidine vasodilators PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-07-06 US claimed
US-3963756-A HYDROXYLASE ENZYME INHIBITORS, HYPOTENSIVES ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JA) 1976-06-15 US claimed
US-3950538-A Anti-inflammatory methods utilizing certain thioureas THE DOW CHEMICAL COMPANY (US) 1976-04-13 US claimed
US-3947470-A CORONARY VASODILATORS, TREATMENT OF ANGINA PECTORIS SMITHKLINE CORPORATION (US) 1976-03-30 US claimed
US-3932465-A ANTIBIOTIC CIBA-GEIGY CORPORATION (US) 1976-01-13 US claimed
US-3932389-A ANTIULCER AGENTS PFIZER INC. (US) 1976-01-13 US claimed