SCHEMBL6918072

SCHEMBL6918072

CCCC(=O)OC(=O)C1CC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
NAAA Q02083 2/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
FFAR3 O14843 2/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
MAPT P10636 2/20 0.34
TSHR P16473 1/20 0.33
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
PPP1CC P36873 1/20 0.33
NLRP3 Q96P20 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL27414978 0.94 ALDH1A1 (0.54) ALDH1A1NAAACES2CES1
SCHEMBL27497691 0.92 ALDH1A1 (0.52) ALDH1A1NAAACES2CES1MAPT
SCHEMBL19555230 0.87 ALDH1A1 (0.47) ALDH1A1NLRP3
SCHEMBL28307625 0.85 NAAA (0.53) ALDH1A1NAAACES2CES1MAPT
SCHEMBL28919745 0.84 NAAA (0.56) NAAACES2CES1MAPTTSHR
SCHEMBL2987771 0.83 MAPT (0.37) ALDH1A1NAAAMAPTPPM1BPTPN1
SCHEMBL15824301 0.79 NAAA (0.58) ALDH1A1NAAAMAPT
SCHEMBL10798834 0.77 LMNA (0.46) ALDH1A1TSHR
SCHEMBL776049 0.77 ALDH1A1 (0.43) ALDH1A1NAAACES2CES1
SCHEMBL30568759 0.77 ALDH1A1 (1.00) ALDH1A1NAAACES2CES1FFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004079334-A2 BIOMARKER DETECTION BASED ON ASPECTS OF ION MOBILITY SIONEX CORPORATION (US) 2004-09-16 WO disclosed
US-6623928-B2 Determining the sequence of a nucleic acid; obtain sample, incubate with labeled probe, separate labeled nucleotide sequences, remove label, detect labels QIAGEN GENOMICS, INC. 2003-09-23 US disclosed
US-20020119456-A1 Methods and compositions for determining the sequence of nucleic acid molecules AGILENT TECHNOLOGIES, INC. 2002-08-29 US disclosed
US-5164506-A Substituted 2-pyridones and pyrid-2-thiones compounds BAYER AKTIENGESELLSCHAFT (DE) 1992-11-17 US disclosed
US-5032602-A Inhibiting HMG-CoA reductase with novel substituted 2-pyridones and pyrid-2-thiones BAYER AKTIENGESELLSCHAFT (DE) 1991-07-16 US disclosed
CN-1034716-A Disubstituted pyridines and preparation method thereof BAYER AG (DE) 1989-08-16 CN disclosed
US-4229469-A Insecticidal alkadienylcyclopropanecarboxylates SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1980-10-21 US disclosed