SCHEMBL28059464

SCHEMBL28059464

COc1cc(C)cc(OC)c1OCCCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
FFAR4 Q5NUL3 3/20 0.51
ACHE P22303 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 1/20 0.47
FFAR1 O14842 1/20 0.47
SYK P43405 1/20 0.47
PPARA Q07869 1/20 0.45
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL28059388 0.95 TSHR (0.51) TSHRFFAR4ACHESMN1; SMN2POLB
SCHEMBL28059505 0.93 POLB (0.52) TSHRFFAR4ACHESMN1; SMN2POLB
SCHEMBL28059563 0.93 POLB (0.52) TSHRFFAR4ACHESMN1; SMN2POLB
SCHEMBL28059500 0.93 POLB (0.52) TSHRFFAR4ACHESMN1; SMN2POLB
SCHEMBL7563849 0.85 POLB (0.51) TSHRFFAR4SMN1; SMN2POLBMAPK1
SCHEMBL13901335 0.82 TUBB1 (0.60) FFAR4FFAR1PPARAALDH1A1
SCHEMBL5843043 0.81 POLB (0.54) TSHRFFAR4SMN1; SMN2POLBMAPK1
SCHEMBL27997143 0.80 PPARA (0.62) TSHRACHESMN1; SMN2SYKPPARA
SCHEMBL10835043 0.79 ACHE (0.48) TSHRACHESMN1; SMN2POLBMAPK1
SCHEMBL12431884 0.78 ACHE (0.56) ACHESMN1; SMN2MAPK1LMNASYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105418412-A Hypoglycemic active compound and pharmaceutical application thereof INST PHARMACOLOGY & TOXICOLOGY ACAD MILITARY MEDICAL SCIENCES PLA CHINA 2016-03-23 CN claimed
CN-105418412-A Hypoglycemic active compound and pharmaceutical application thereof INST PHARMACOLOGY & TOXICOLOGY ACAD MILITARY MEDICAL SCIENCES PLA CHINA 2016-03-23 CN disclosed