SCHEMBL827795

SCHEMBL827795

c1ccc(C2(c3ccccc3)CCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.61
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
CYP2C9 P11712 1/20 0.58
ESR1 P03372 2/20 0.56
ESR2 Q92731 2/20 0.56
ALDH1A1 P00352 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
DPP4 P27487 1/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
GRIN1 Q05586 1/20 0.50
KCNH2 Q12809 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
HTR2A P28223 1/20 0.50

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
SCHEMBL30078304 0.97 ESR1 (0.58) OPRM1MEN1KMT2ACYP2C9ESR1
SCHEMBL28378542 0.97 ESR1 (0.58) OPRM1MEN1KMT2ACYP2C9ESR1
SCHEMBL30877902 0.97 ESR1 (0.58) OPRM1MEN1KMT2ACYP2C9ESR1
SCHEMBL54982 0.97 ESR1 (0.58) OPRM1MEN1KMT2ACYP2C9ESR1
SCHEMBL30877914 0.97 ESR1 (0.58) OPRM1MEN1KMT2ACYP2C9ESR1
SCHEMBL24157288 0.97 ESR1 (0.58) OPRM1MEN1KMT2ACYP2C9ESR1
Ammonia Solution, Strong SCHEMBL7989528 0.95 ESR1 (0.56) OPRM1MEN1KMT2ACYP2C9ESR1
SCHEMBL1515174 0.95 ESR1 (0.56) OPRM1MEN1KMT2ACYP2C9ESR1
Hydrogen Peroxide SCHEMBL2349581 0.95 ESR1 (0.62) OPRM1MEN1KMT2ACYP2C9ESR1
Ammonia Solution, Strong SCHEMBL8967959 0.95 ESR1 (0.56) OPRM1MEN1KMT2ACYP2C9ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117534720-A Cyclopentane polyhydrophenanthrene derivative, and preparation method and application thereof 香港中文大学(深圳) 2024-02-09 CN claimed
EP-3051618-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME MITSUBISHI CHEM CORP (JP) 2018-11-14 EP claimed
US-9461334-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte battery using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2016-10-04 US claimed
EP-3051618-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME Mitsubishi Chemical Corporation (JP) 2016-08-03 EP claimed
US-20160211553-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2016-07-21 US claimed
JP-11268145-A None JP disclosed
US-12159967-B2 Nonaqueous electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-12-03 US disclosed
CN-115260266-B Cholesterol synthesis method for constructing cholesterol side chain 上海格苓凯生物科技有限公司 2024-07-05 CN disclosed
CN-116754677-B Method for detecting fat-soluble vitamins in sample 北京华大吉比爱生物技术有限公司 2024-06-28 CN disclosed
CN-117982513-A Pharmaceutical use of corticoids 北京干细胞与再生医学研究院 2024-05-07 CN disclosed
CN-117843709-A Phytosterol compound and application thereof 江南大学 2024-04-09 CN disclosed
US-11920040-B2 Carborhodamine compounds and methods of preparation thereof ELITECHGROUP MDX LLC (US) 2024-03-05 US disclosed
EP-1650263-A1 Composition containing unsaturated silicone compounds, dental materials containing them and use thereof 3M Espe AG (DE) 2006-04-26 EP disclosed
JP-H11268145-A ELECTRICALLY INSULATING FILM AND CAPACITOR USING THE SAME TORAY IND INC 1999-10-05 JP disclosed
EP-0536690-B1 Light-sensitive composition FUJI PHOTO FILM CO LTD (JP) 1998-09-09 EP disclosed
US-5364738-A Divinyl ethers, solubility in developers FUJI PHOTO FILM CO., LTD. (JP) 1994-11-15 US disclosed
EP-0362673-B1 1,1-DICYCLOHEXYL CYCLOALKANE DERIVATIVE, METHOD FOR THE PREPARATION THEREOF AND TRACTION-DRIVE FLUID CONTAINING THE SAME IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-07-28 EP disclosed
EP-0536690-A1 Light-sensitive composition FUJI PHOTO FILM CO., LTD. (JP) 1993-04-14 EP disclosed
US-4115415-A FROM ALKYLENE OXIDES NISSO PETROCHEMICAL INDUSTRIES CO., LTD. (JP) 1978-09-19 US disclosed
US-4022808-A ZINC-ALUMINUM-TITANIUM-TIN-IRON OR GROUP 5A AS CATALYSTS NIPPON SODA COMPANY LIMITED (JA) 1977-05-10 US disclosed