SCHEMBL515470

SCHEMBL515470

CCC(C)(O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 1/20 0.50
LMNA P02545 1/20 0.48
CYP2D6 P10635 1/20 0.48
TRPA1 O75762 2/20 0.47
FDPS P14324 1/20 0.45
TP53 P04637 1/20 0.44
RIPK1 Q13546 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
MMP8 P22894 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
KCNA5 P22460 1/20 0.39

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
Ammonia Solution, Strong SCHEMBL11513172 0.96 SLC6A2 (0.48) SLC6A2TAAR1CYP2C9CYP2C19CYP1A2
SCHEMBL809278 0.88 SLC6A2 (0.58) SLC6A2TAAR1CYP2C9CYP2C19CYP1A2
Dichloroacetic Acid SCHEMBL27945200 0.86 RIPK1 (0.41) SLC6A2TAAR1CYP2C9CYP2C19CYP1A2
SCHEMBL15255042 0.83 SLC6A2 (0.48) SLC6A2TAAR1CYP2C9CYP2C19CYP1A2
SCHEMBL5065515 0.82 SLC6A2 (0.52) SLC6A2TAAR1CYP2C9CYP2C19CYP1A2
SCHEMBL5065523 0.82 SLC6A2 (0.52) SLC6A2TAAR1CYP2C9CYP2C19CYP1A2
SCHEMBL5069828 0.82 SLC6A2 (0.52) SLC6A2TAAR1CYP2C9CYP2C19CYP1A2
SCHEMBL28330980 0.80 SLC6A2 (0.50) SLC6A2TAAR1CYP2C9CYP2C19CYP1A2
SCHEMBL11804504 0.80 HPGD (0.46) TAAR1CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL27660447 0.80 TRPA1 (0.50) SLC6A2TAAR1CYP2C9CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117164829-B Quick-drying water-based alkyd resin and preparation method thereof 湖北彩龙涂料科技有限公司 2024-02-09 CN claimed
CN-117164829-A Quick-drying water-based alkyd resin and preparation method thereof 湖北彩龙涂料科技有限公司 2023-12-05 CN claimed
US-20090324787-A2 DEODORIZED PLANT COLORANT DERIVED FROM IPOMOEA BATATAS (as amended) SAN-EI GEN F.F.I., INC. (JP) 2009-12-31 US claimed
US-20090238932-A1 Deodorized plant colorant derived from Ipomoea Batatas SAN-EI GEN F.F.I., INC. (JP) 2009-09-24 US claimed
EP-2096146-A1 Deodorized plant pigment derived from Ipomoea Batatas SAN-EI GEN F.F.I., INC. (JP) 2009-09-02 EP claimed
CN-100360487-C Process for cleavage of an oxidation mixture comprising hydroperoxides SHELL OIL CO (NL) 2008-01-09 CN claimed
US-7312365-B2 Process for low temperature cleavage of an oxidation mixture comprising hydroperoxides SHELL OIL COMPANY (US) 2007-12-25 US claimed
US-7282613-B2 Process for producing phenol and methyl ethyl ketone SHELL OIL COMPANY (US) 2007-10-16 US claimed
CN-1771216-A Process for cleavage of an oxidation mixture comprising hydroperoxides SHELL OIL CO (NL) 2006-05-10 CN claimed
EP-1603856-A1 PROCESS FOR CLEAVAGE OF AN OXIDATION MIXTURE COMPRISING HYDROPEROXIDES SHELL OIL COMPANY (US) 2005-12-14 EP claimed
US-20040236152-A1 Process for producing phenol and methyl ethyl ketone BLACK JESSE RAYMOND (US) 2004-11-25 US claimed
WO-2004074227-A1 PROCESS FOR CLEAVAGE OF ANF OXIDATION MIXTURE COMPRISING HYDROPEROXIDES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2004-09-02 WO claimed
US-20040162448-A1 Process for producing phenol and ketone using neutralizing base SHELL OIL COMPANY 2004-08-19 US claimed
US-20040162446-A1 Process for low temperature cleavage of an oxidation mixture comprising hydroperoxides SHELL OIL COMPANY 2004-08-19 US claimed
CN-117164829-B Quick-drying water-based alkyd resin and preparation method thereof 湖北彩龙涂料科技有限公司 2024-02-09 CN disclosed
CN-117164829-B Quick-drying water-based alkyd resin and preparation method thereof 湖北彩龙涂料科技有限公司 2024-02-09 CN disclosed
CN-117164829-A Quick-drying water-based alkyd resin and preparation method thereof 湖北彩龙涂料科技有限公司 2023-12-05 CN disclosed
EP-0201365-B1 PROCESS FOR THE ELECTROSYNTHESIS OF ALCOHOLS AND EPOXIDE COMPOUNDS SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1989-05-31 EP disclosed
US-4637863-A ELECTROCHEMICAL REDUCTION OF ORGANIC HALIDES IN PRESENCE OF CARBONYL DERIVATIVES SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1987-01-20 US disclosed
EP-0201365-A1 Process for the electrosynthesis of alcohols and epoxide compounds SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1986-11-12 EP disclosed