SCHEMBL3338775

SCHEMBL3338775

CCCC[C](C)CCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.37
CES1 P23141 2/20 0.37
CES2 O00748 1/20 0.36
FDPS P14324 6/20 0.34
OPRM1 P35372 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
SPHK1 Q9NYA1 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
SCHEMBL10687004 0.91 CES2 (0.41) CES1CES2ALDH1A1
SCHEMBL2784167 0.84 CA1 (0.40) CA1CES1CES2TRPM8
SCHEMBL11352618 0.84 CA1 (0.48) CA1ALDH1A1TRPM8
SCHEMBL11529584 0.83 CES2 (0.39) CES1CES2FDPSOPRM1ALDH1A1
SCHEMBL2782959 0.81 CES2 (0.41) CES1CES2ALDH1A1
SCHEMBL258041 0.81 FFAR4 (0.44) CES1CES2FDPSOPRM1SPHK1
SCHEMBL441191 0.81 CES1 (0.50) CA1CES1CES2ALDH1A1TP53
SCHEMBL28179508 0.78 PTPN1 (0.45) CA1ALDH1A1
SCHEMBL16594597 0.77 CA1 (0.39) CA1CES1CES2OPRM1ALDH1A1
SCHEMBL11568145 0.77 CES1 (0.39) CA1CES1CES2FDPSALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0361341-A2 Therapeutics for aids based on inhibitors of HIV protease MILES INC. (US) 1990-04-04 EP claimed
US-9249257-B2 Copolymer, organic semiconductor material, organic electrical device, photovoltaic module MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-9212254-B2 2015-12-15 US disclosed
EP-2857429-A1 COPOLYMER, ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC ELECTRICAL DEVICE, AND SOLAR CELL MODULE Mitsubishi Chemical Corporation (JP) 2015-04-08 EP disclosed
US-20150094436-A1 COPOLYMER, ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC ELECTRICAL DEVICE, AND PHOTOVOLTAIC MODULE MITSUBISHI CHEMICAL CORPORATION (JP) 2015-04-02 US disclosed
US-20100143273-A1 COSMETIC COMPOSITION COMPRISING AT LEAST ONE APROTIC HYDROCARBON-BASED VOLATILE SOLVENT L'OREAL S.A. (FR) 2010-06-10 US disclosed
EP-2083789-A1 COSMETIC COMPOSITION COMPRISING AT LEAST ONE APROTIC HYDROCARBON-BASED VOLATILE SOLVENT L'Oréal (FR) 2009-08-05 EP disclosed
WO-2008061985-A1 COSMETIC COMPOSITION COMPRISING AT LEAST ONE APROTIC HYDROCARBON-BASED VOLATILE SOLVENT L'OREAL (FR) 2008-05-29 WO disclosed
EP-0361341-A2 Therapeutics for aids based on inhibitors of HIV protease MILES INC. (US) 1990-04-04 EP disclosed
EP-0116227-B1 TITANIUM TRICHLORIDE CATALYST COMPONENT AND THE PROCESS FOR THE PRODUCTION THEREOF EXXON RESEARCH AND ENGINEERING COMPANY (US) 1986-04-16 EP disclosed
EP-0174162-A2 Pharmaceutically active dipeptide derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1986-03-12 EP disclosed
EP-0116227-A1 Titanium trichloride catalyst component and the process for the production thereof EXXON RESEARCH AND ENGINEERING COMPANY (US) 1984-08-22 EP disclosed