SCHEMBL28059563

SCHEMBL28059563

COc1cc(C)cc(OC)c1OCCCCCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TSHR P16473 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PPARA Q07869 2/20 0.49
FFAR4 Q5NUL3 1/20 0.46
FFAR1 O14842 1/20 0.46
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
ACHE P22303 1/20 0.46
LMNA P02545 1/20 0.45
SYK P43405 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
SCHEMBL28059505 1.00 POLB (0.52) POLBMAPK1SMN1; SMN2TSHRALDH1A1
SCHEMBL28059500 1.00 POLB (0.52) POLBMAPK1SMN1; SMN2TSHRALDH1A1
SCHEMBL28059388 0.98 TSHR (0.51) POLBMAPK1SMN1; SMN2TSHRALDH1A1
SCHEMBL28059464 0.93 TSHR (0.57) POLBMAPK1SMN1; SMN2TSHRALDH1A1
SCHEMBL13931342 0.84 FFAR1 (0.56) POLBMAPK1SMN1; SMN2ALDH1A1PPARA
SCHEMBL4440034 0.82 TNFRSF1A (0.52) POLBMAPK1SMN1; SMN2ALDH1A1PPARA
SCHEMBL4440040 0.82 TNFRSF1A (0.52) POLBMAPK1SMN1; SMN2ALDH1A1PPARA
SCHEMBL8164075 0.81 TSHR (0.59) SMN1; SMN2TSHRALDH1A1PPARAFFAR4
SCHEMBL12432397 0.80 ACHE (0.52) ACHESYK
SCHEMBL19463647 0.79 TSHR (0.45) TSHRALDH1A1PPARAFFAR4FFAR1

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