SCHEMBL77754

SCHEMBL77754

COc1[c]ccc(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA7 P43166 4/20 0.39
CA9 Q16790 4/20 0.39
CA12 O43570 2/20 0.39
CA14 Q9ULX7 2/20 0.39
ALDH1A1 P00352 6/20 0.39
CYP1A2 P05177 2/20 0.38
ACHE P22303 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP3A4 P08684 2/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
MEN1 O00255 3/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 1/20 0.35
GFER P55789 1/20 0.35

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
Magnesium Chloride Anhydrous SCHEMBL29265286 0.92 CA1 (0.34) CA1CA2CA7CA9CA12
SCHEMBL29242276 0.88 ALDH1A1 (0.33) CA1CA2CA7CA9CA12
SCHEMBL8124425 0.86 LTA4H (0.47) CA1CA2CA7CA9CA12
SCHEMBL20875253 0.84 NFE2L2 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL4885519 0.81 ALDH1A1 (0.38) ALDH1A1KMT2AKDM4EHSD17B10
SCHEMBL15352571 0.81 NPSR1 (0.37) CA1CA2CA7CA9CA12
SCHEMBL7420861 0.81 KIF11 (0.34)
SCHEMBL721489 0.81 NQO1 (0.43) CA1CA7CA9CA12CA14
SCHEMBL1569511 0.81 ESR1 (0.39) ALDH1A1CCR1CCR5CCR8MAPT
SCHEMBL7479452 0.81 ACHE (0.41) CA1CA2CA7CA9CA12

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 8590 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174603-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME RAPPTA THERAPEUTICS OY (FI) 2024-05-30 US claimed
CN-118055930-A Thiadiazole derivative, composition and application thereof 北京丹擎医药科技有限公司 2024-05-17 CN claimed
CN-117983302-A Catalyst containing ferrocene PNP ligand for ethylene selective tetramerization and preparation method and application thereof 华东理工大学 2024-05-07 CN claimed
EP-4349813-A1 QUATERNARY AMMONIUM SALT COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Yichang Humanwell Pharmaceutical Co., Ltd. (CN) 2024-04-10 EP claimed
CN-110770214-B Heterocyclic P2X7 antagonists 布雷耶疗法有限公司 2024-03-29 CN claimed
CN-112004813-B Oxadiazole compounds for controlling phytopathogenic fungi PI工业有限公司 2024-03-29 CN claimed
CN-117700417-A Deoxidized duckbill ketone base derivative and preparation method and application thereof 安徽医科大学 2024-03-15 CN claimed
US-11926746-B2 Active energy ray-curable ink and image recording method FUJIFILM CORPORATION (JP) 2024-03-12 US claimed
CN-114728520-B Active energy ray-curable ink and image recording method 富士胶片株式会社 2024-03-08 CN claimed
US-11919854-B2 P2RX7 modulators in therapy CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2024-03-05 US claimed
US-4327088-A ANTIVIRAL AGENTS HOFFMANN-LA ROCHE INC. (US) 1982-04-27 US claimed
EP-0048548-A1 Pharmaceutical compositions of fungicidal triazole derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-03-31 EP claimed
EP-0047057-A2 Triazole compounds, a process for preparing them, their use as plant fungicides and fungicidal compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-03-10 EP claimed
EP-0046633-A1 Heterocyclic compounds useful as pesticides and processes for making them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-03-03 EP claimed
US-4316037-A N-Benzyl and N-substituted benzyl tetrazole-5-carboxylic acids and the preparation thereof AMERICAN HOME PRODUCTS CORPORATION (US) 1982-02-16 US claimed
US-4246020-A Imidazole and triazole compounds, fungicidal and plant growth regulating compositions, method of combating fungal infections in plants and method of regulating plant growth IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-01-20 US claimed
EP-0008391-A1 Benzimidazoles, their preparation and pharmaceutical compositions containing them Dr. Karl Thomae GmbH (DE) 1980-03-05 EP claimed
EP-0002331-A2 Imidazole and triazole compounds, fungicidal and plant growth regulating compositions, method of combating fungal infections in plants and method of regulating plant growth IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-06-13 EP claimed
US-3974147-A DIHYDRO-HETEROCYCLIC AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1976-08-10 US claimed
US-3962256-A ANALGESICS, HYPOTENSIVES, ANTIINFLAMMATORY AGENTS DELALANDE S.A. (FR) 1976-06-08 US claimed