SCHEMBL1815225

SCHEMBL1815225

COc1ccc(CC(O)CO)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
LDHA P00338 1/20 0.56
SLC6A4 P31645 1/20 0.55
CYP2D6 P10635 2/20 0.54
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
SLC18A2 Q05940 1/20 0.48
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
IDO1 P14902 1/20 0.47

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
SCHEMBL5859651 0.90 LDHA (0.62) POLBLDHASLC6A4CYP2D6CYP1A2
SCHEMBL4373460 0.84 LDHA (0.56) POLBLDHASLC6A4CYP2D6CYP1A2
SCHEMBL2481968 0.84 POLB (0.57) POLBLDHASLC6A4CYP2D6CYP1A2
SCHEMBL4249475 0.82 POLB (0.59) POLBLDHASLC6A4CYP2D6CYP1A2
SCHEMBL28222288 0.82 PPARG (0.63) POLBLDHASLC6A4CYP2D6CYP1A2
SCHEMBL1551930 0.82 POLB (0.55) POLBLDHASLC6A4CYP2D6CYP1A2
SCHEMBL1551932 0.82 POLB (0.55) POLBLDHASLC6A4CYP2D6CYP1A2
SCHEMBL2334749 0.81 SLC6A4 (0.67) POLBLDHASLC6A4CYP2D6CYP1A2
SCHEMBL24733166 0.81 SLC6A4 (0.56) POLBLDHASLC6A4CYP2D6CYP1A2
SCHEMBL11451860 0.81 SLC18A2 (0.52) CA1CA2SLC18A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115557836-A Preparation method of carboxylic acid 云南大学 2023-01-03 CN claimed
CN-115557836-A Preparation method of carboxylic acid 云南大学 2023-01-03 CN disclosed
US-20110111397-A1 CONNEXIN ALLELE DETECTION ASSAYS THIRD WAVE TECHNOLOGIES, INC. (US) 2011-05-12 US disclosed
US-7132092-B2 Metallized mesoporous silicate and method of oxidation with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-11-07 US disclosed
US-20050090688-A1 Metallized mesoporous silicate and method of oxidation with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-04-28 US disclosed
EP-1473275-A1 METALLIZED MESOPOROUS SILICATE AND METHOD OF OXIDATION WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2004-11-03 EP disclosed