SCHEMBL95191

SCHEMBL95191

Cc1cc(C)c(C[O])c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.40
RAPGEF4 Q8WZA2 4/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34

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
SCHEMBL28023203 0.83 ALDH1A1 (0.36) HRH3RAPGEF4CYP11B1CYP11B2HTR1D
SCHEMBL8053823 0.78 HRH3 (0.47) HRH3RAPGEF4CYP11B1CYP11B2HTR1D
SCHEMBL16684297 0.77 HRH3 (0.40) HRH3RAPGEF4CYP11B1CYP11B2HTR1D
SCHEMBL18243038 0.76 HRH3 (0.45) HRH3RAPGEF4CYP11B1CYP11B2HTR1D
SCHEMBL27995904 0.75 HRH3 (0.54) HRH3RAPGEF4CYP11B1CYP11B2HTR1D
SCHEMBL1316919 0.75 HTR1D (0.48) HRH3RAPGEF4CYP11B1CYP11B2HTR1D
SCHEMBL18243697 0.74 HRH3 (0.44) HRH3RAPGEF4CYP11B1CYP11B2HTR1D
SCHEMBL28489168 0.73 HRH3 (0.41) HRH3RAPGEF4CYP11B1CYP11B2HTR1D
SCHEMBL327084 0.73 HRH3 (0.41) HRH3RAPGEF4CYP11B1CYP11B2HTR1D
SCHEMBL28876448 0.72 ALDH1A1 (0.39) LMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5741939-A Process for the copolymerization of carbon monoxide with an olefinically unsaturated compound SHELL OIL COMPANY (US) 1998-04-21 US claimed
EP-0702046-A2 Process for the copolymerization of carbon monoxide with an olefinically unsaturated compound SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1996-03-20 EP claimed
EP-0454270-B1 Catalyst compositions SHELL INT RESEARCH (NL) 1993-12-15 EP claimed
US-5171832-A POLYMERIZATION OF CARBON MONOXIDE/OLEFIN WITH P BIDENTATE LIGAND HAVING (1) ALKOXY PHENYL P GROUP AND (2) MONOSUBSTITUTED DIVALENT BRIDGING GROUP SHELL OIL COMPANY (US) 1992-12-15 US claimed
EP-0454270-A1 Catalyst compositions SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-10-30 EP claimed
CN-113387055-B Film, method for producing film, and bag 住友化学株式会社 2024-06-07 CN disclosed
CN-117425653-A Method for producing bipyridine derivative, method for producing macrocyclic compound, method for producing metal complex containing macrocyclic compound as ligand, metal complex, electrode for air battery, and air battery 住友化学株式会社 2024-01-19 CN disclosed
CN-112724302-B Ethylene-alpha-olefin copolymer, process for producing the same, ethylene resin composition, and film 住友化学株式会社 2023-10-31 CN disclosed
US-11643533-B2 Film, method of producing film, and bag SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-05-09 US disclosed
CN-112638997-B Film and packaging container 住友化学株式会社 2023-04-28 CN disclosed
WO-2022249992-A1 PRODUCTION METHOD FOR BIPYRIDINE DERIVATIVE, PRODUCTION METHOD FOR MACROCYCLIC COMPOUND, PRODUCTION METHOD FOR METAL COMPLEX INCLUDING MACROCYCLIC COMPOUND AS LIGAND, METAL COMPLEX, ELECTRODE FOR AIR BATTERY, AND AIR BATTERY 住友化学株式会社 2022-12-01 WO disclosed
CN-110352213-B Film 住友化学株式会社 2022-09-09 CN disclosed
EP-0251827-B1 NEW CYCLIC ETHER DERIVATIVES, THEIR PREPARATION AND THEIR USE Sankyo Company Limited (JP) 1993-09-15 EP disclosed
US-5229343-A Polymerization process SHELL OIL COMPANY (US) 1993-07-20 US disclosed
US-5171832-A POLYMERIZATION OF CARBON MONOXIDE/OLEFIN WITH P BIDENTATE LIGAND HAVING (1) ALKOXY PHENYL P GROUP AND (2) MONOSUBSTITUTED DIVALENT BRIDGING GROUP SHELL OIL COMPANY (US) 1992-12-15 US disclosed
EP-0498680-A1 New beta-amino-alpha-hydroxycarboxylic acids and their use Sankyo Company Limited (JP) 1992-08-12 EP disclosed
EP-0468766-A1 Halogen-containing compounds, herbicidal composition containing the same as an active ingredient, and intermediary compounds therefor Mitsubishi Chemical Corporation (JP) 1992-01-29 EP disclosed
EP-0454270-A1 Catalyst compositions SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-10-30 EP disclosed
US-4891363-A PLATELET ACTIVATING FACTOR ANTAGONISTS SANKYO COMPANY LIMITED (JP) 1990-01-02 US disclosed
EP-0251827-A2 New cyclic ether derivatives, their preparation and their use Sankyo Company Limited (JP) 1988-01-07 EP disclosed