SCHEMBL2857703

SCHEMBL2857703

CCCC(O)c1ccccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.41
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.38
NOS2 P35228 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
PPARG P37231 2/20 0.35
ALOX15 P16050 2/20 0.35
CYP3A4 P08684 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 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
SCHEMBL5793872 0.89 CSNK1E (0.45) ALDH1A1CYP1A2CYP2C9CYP2C19PPARG
SCHEMBL9810064 0.87 CSNK1E (0.47) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL9026897 0.85 CD44 (0.38) AOC3ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL6834936 0.83 LMNA (0.50) AOC3ALDH1A1LMNANOS2CYP1A2
SCHEMBL723197 0.83 LMNA (0.50) AOC3ALDH1A1LMNANOS2CYP1A2
SCHEMBL3968351 0.82 CYP3A4 (0.36) AOC3ALDH1A1NOS2CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL9992852 0.82 LMNA (0.48) AOC3ALDH1A1LMNANOS2CYP1A2
SCHEMBL2443508 0.82 CYP3A4 (0.36) AOC3ALDH1A1NOS2CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL5981045 0.82 LMNA (0.48) AOC3ALDH1A1LMNANOS2CYP1A2
SCHEMBL14150341 0.79 FFAR1 (0.46) AOC3ALDH1A1LMNACYP1A2CYP2C9

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
CN-101631457-B Amino alcohol and biocide compositions for aqueous based systems ANGUS CHEMICAL COMPNAY 2013-09-25 CN claimed
CN-101917847-A Corrosion that improves in the hydrocarbonaceous compositions and control of microorganisms DOW GLOBAL TECHNOLOGIES INC 2010-12-15 CN claimed
EP-2244570-A2 IMPROVED CORROSION AND MICROBIAL CONTROL IN HYDROCARBONACEOUS COMPOSITIONS Dow Global Technologies Inc. (US) 2010-11-03 EP claimed
CN-101631457-A Amino alcohol and biocide compositions for aqueous based systems ANGUS CHEMICAL 2010-01-20 CN claimed
WO-2009085552-A2 IMPROVED CORROSION AND MICROBIAL CONTROL IN HYDROCARBONACEOUS COMPOSITIONS DOW GLOBAL TECHNOLOGIES INC. (US) 2009-07-09 WO claimed
CN-101631457-B Amino alcohol and biocide compositions for aqueous based systems ANGUS CHEMICAL COMPNAY 2013-09-25 CN disclosed
CN-101917847-A Corrosion that improves in the hydrocarbonaceous compositions and control of microorganisms DOW GLOBAL TECHNOLOGIES INC 2010-12-15 CN disclosed
EP-2244570-A2 IMPROVED CORROSION AND MICROBIAL CONTROL IN HYDROCARBONACEOUS COMPOSITIONS Dow Global Technologies Inc. (US) 2010-11-03 EP disclosed
CN-101631457-A Amino alcohol and biocide compositions for aqueous based systems ANGUS CHEMICAL 2010-01-20 CN disclosed
EP-2117300-A2 AMINOALCOHOL AND BIOCIDE COMPOSITIONS FOR AQUEOUS BASED SYSTEMS ANGUS CHEMICAL COMPANY (US) 2009-11-18 EP disclosed
WO-2009085552-A2 IMPROVED CORROSION AND MICROBIAL CONTROL IN HYDROCARBONACEOUS COMPOSITIONS DOW GLOBAL TECHNOLOGIES INC. (US) 2009-07-09 WO disclosed
WO-2008088632-A2 AMINOALCOHOL AND BIOCIDE COMPOSITIONS FOR AQUEOUS BASED SYSTEMS ANGUS CHEMICAL COMPANY (US) 2008-07-24 WO disclosed