SCHEMBL22833

SCHEMBL22833

[c]1ccc(C2CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.42
ESR2 Q92731 7/20 0.41
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
SLC18A3 Q16572 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
NOTUM Q6P988 2/20 0.39
HSP90AA1 P07900 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HAO1 Q9UJM8 1/20 0.38
ESR1 P03372 5/20 0.37
CYP2D6 P10635 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL5543159 1.00 CYP11B2 (0.42) CYP11B2ESR2HTTLMNASLC18A3
SCHEMBL2911926 1.00 CYP11B2 (0.42) CYP11B2ESR2HTTLMNASLC18A3
SCHEMBL676555 1.00 CYP11B2 (0.42) CYP11B2ESR2HTTLMNASLC18A3
SCHEMBL27452122 0.98 CYP11B2 (0.41) CYP11B2ESR2HTTLMNASLC18A3
SCHEMBL21538 0.97 ESR2 (0.42) CYP11B2ESR2HTTLMNASLC18A3
Fluoromethane SCHEMBL28164137 0.93 CYP11B2 (0.38) CYP11B2ESR2HTTLMNASLC18A3
SCHEMBL43455 0.92 ESR2 (0.47) CYP11B2ESR2SLC18A3HDAC1HDAC8
SCHEMBL29099563 0.91 CYP11B2 (0.37) CYP11B2ESR2HTTLMNASLC18A3
SCHEMBL6578876 0.89 POLB (0.46) ESR2SLC18A3POLBESR1CYP2D6
SCHEMBL22929 0.89

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 8566 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117143099-B Evodiamine derivative, preparation method thereof and application of evodiamine derivative as PGAM1 inhibitor 陕西中医药大学 2024-07-09 CN claimed
US-20240216900-A1 SABRE CATALYSTS CONTAINING FLUORINATED CARBON CHAINS FOR DELIVERY OF METAL-FREE MRI CONTRAST AGENTS THE U.S.A., AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-07-04 US claimed
CN-118255647-A Preparation method of compound containing fluorine substituted cyclohexylphenyl group 晶美晟光电材料(南京)有限公司 2024-06-28 CN claimed
WO-2024125652-A1 BORON-CONTAINING ORGANIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE PREPARED FROM SAME 华为技术有限公司 2024-06-20 WO claimed
US-11982825-B2 Liquid crystal optical element and method for manufacturing the same JAPAN DISPLAY INC. (JP) 2024-05-14 US claimed
CN-117843568-A Aralkyl substituted-1-methylquinoline quaternary ammonium salt derivative and preparation method and application thereof 中国药科大学 2024-04-09 CN claimed
CN-117263949-A Heteroterpene derivative of natural product Oxirapentyn B and preparation method and application thereof 中山大学 2023-12-22 CN claimed
US-20230375874-A1 LIQUID CRYSTAL OPTICAL ELEMENT JAPAN DISPLAY INC. (JP) 2023-11-23 US claimed
US-20230375764-A1 LIQUID CRYSTAL OPTICAL ELEMENT AND METHOD FOR MANUFACTURING THE SAME JAPAN DISPLAY INC. (JP) 2023-11-23 US claimed
WO-2023208725-A1 AMORPHOUS COPOLYCARBONATE WITH PHENOLIC BUILDING BLOCKS COVESTRO DEUTSCHLAND AG (DE) 2023-11-02 WO claimed
US-4123465-A SELECTIVE HYDROGENATION CATALYSTS HOFFMANN-LA ROCHE INC. (US) 1978-10-31 US claimed
US-4096338-A ANTIPHLOGISTIC NISSHIN FLOUR MILLING CO., LTD. (JA) 1978-06-20 US claimed
US-4089972-A Organotin sulfinates as insecticides and acaricides UNIROYAL, INC. (US) 1978-05-16 US claimed
US-4087543-A Composition for disinfecting soil and combating plant diseases containing organic dicarbonates BAYER AKTIENGESELLSCHAFT (DT) 1978-05-02 US claimed
US-4042617-A FROM A GLYCIDIC ACID ESTER NISSHIN FLOUR MILLING CO., LTD. (JA) 1977-08-16 US claimed
US-4016196-A HEATING GLYCIDIC ESTERS NISSHIN FLOUR MILLING CO., LTD. (JA) 1977-04-05 US claimed
US-4016191-A WATER INSOLUBLE; LIGHTFASTNESS BAYER AKTIENGESELLSCHAFT (DT) 1977-04-05 US claimed
US-4007217-A FROM A GLYCIDATE NISSHIN FLOUR MILLING CO., LTD. (JA) 1977-02-08 US claimed
US-3971804-A ACARICIDES, FUNGICIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 US claimed
US-3959332-A N-(2-NITRO-4-ARYLOXYSULFONYL-PHENYL)-ARYLENEDIAMINES, DYES SANDOZ LTD. (CH) 1976-05-25 US claimed