SCHEMBL474900

SCHEMBL474900

CC(C)(O)CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
SIGMAR1 Q99720 3/20 0.35
GRM2 Q14416 1/20 0.35
GRM3 Q14832 1/20 0.35
HPGD P15428 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
METAP1 P53582 1/20 0.32
ACHE P22303 1/20 0.32
CHRM5 P08912 2/20 0.32
ADRA2C P18825 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
ADAM17 P78536 1/20 0.32
AKR1C3 P42330 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL2780949 1.00 CYP1A2 (0.42) CYP1A2SIGMAR1GRM2GRM3HPGD
SCHEMBL11333116 0.97 CYP1A2 (0.39) CYP1A2SIGMAR1GRM2GRM3HPGD
SCHEMBL1696865 0.86
SCHEMBL14923265 0.84 CYP1A2 (0.42) CYP1A2SIGMAR1GRM2GRM3HPGD
Hydrochloric Acid SCHEMBL1696886 0.83
SCHEMBL1524628 0.80 CYP1A2 (0.48) CYP1A2SIGMAR1GRM2GRM3HPGD
SCHEMBL11695758 0.80 GRM2 (0.41) CYP1A2SIGMAR1GRM2GRM3HPGD
SCHEMBL2421111 0.80 GRM2 (0.41) CYP1A2SIGMAR1GRM2GRM3HPGD
SCHEMBL758814 0.78 CYP1A2 (0.43) CYP1A2SIGMAR1GRM2GRM3HPGD
SCHEMBL13174686 0.78 GNAO1 (0.33) AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112225634-A Method for separating cyclohexane and tert-butyl alcohol by liquid-liquid extraction-flash evaporation 洪泽县恒泰科工贸有限公司 2021-01-15 CN claimed
EP-1648878-B9 PIPERIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EURO CELTIQUE SA (LU) 2011-03-16 EP claimed
US-7754723-B2 Therapeutic agents useful for treating pain PURDUE PHARMA, L.P., USA 2010-07-13 US claimed
US-7572812-B2 Therapeutic agents useful for treating pain PURDUE PHARMA, L.P., USA 2009-08-11 US claimed
EP-1648878-B1 PIPERIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EURO CELTIQUE SA (LU) 2009-05-06 EP claimed
US-20070269379-A1 Penetration Enhancer Combinations for Transdermal Delivery REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2007-11-22 US claimed
WO-2005009510-A2 PENETRATION ENHANCER COMBINATIONS FOR TRANSDERMAL DELIVERY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-02-03 WO claimed
EP-1108703-B1 Fragance composition TAKASAGO PERFUMERY CO LTD (JP) 2004-03-10 EP claimed
US-6489273-B1 Fragrance compositions containing 2-cyclohexyl-1,1-dimethyl ethanol esters TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-12-03 US claimed
EP-1108703-A1 Fragance composition Takasago International Corporation (JP) 2001-06-20 EP claimed
US-4197318-A CYCLOHEXYL SUBSTITUTED ALKANOLS AS POTENTIATORS JOHNSON & JOHNSON (US) 1980-04-08 US claimed
US-4091090-A PENETRANT ACCELERATOR COMPRISING CYCLOHEXYL-SUBSTITUTED ALKANOLS JOHNSON & JOHNSON (US) 1978-05-23 US claimed
US-4006218-A MICROBIOCIDE JOHNSON & JOHNSON (US) 1977-02-01 US claimed
EP-4349414-B1 FORMULATIONS FOR TRANSDERMAL ADMINISTRATION DYVE BIOSCIENCES INC (US) 2025-10-15 EP disclosed
EP-3324930-B1 DELIVERY OF DRUG NANOPARTICLES AND METHODS OF USE THEREOF DFB SORIA LLC (US) 2025-09-17 EP disclosed
US-20250262239-A1 METHOD OF ADMINISTRATION AND TREATMENT DYVE BIOSCIENCES, INC. 2025-08-21 US disclosed
US-4321257-A Potentiated medicaments JOHNSON & JOHNSON (US) 1982-03-23 US disclosed
US-4197318-A CYCLOHEXYL SUBSTITUTED ALKANOLS AS POTENTIATORS JOHNSON & JOHNSON (US) 1980-04-08 US disclosed
US-4091090-A PENETRANT ACCELERATOR COMPRISING CYCLOHEXYL-SUBSTITUTED ALKANOLS JOHNSON & JOHNSON (US) 1978-05-23 US disclosed
US-4006218-A MICROBIOCIDE JOHNSON & JOHNSON (US) 1977-02-01 US disclosed