SCHEMBL31099447

SCHEMBL31099447

O=C(O)CCCOc1ccc2c(c1)C(=O)c1ccccc1C2=O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.57
FFAR4 Q5NUL3 7/20 0.53
FFAR1 O14842 4/20 0.52
PPARG P37231 1/20 0.52
MAPT P10636 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
PPARA Q07869 1/20 0.50

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
SCHEMBL21248415 0.95 MAPT (0.55) PDK2FFAR4FFAR1MAPTL3MBTL1
SCHEMBL25245380 0.88 MAPT (0.68) FFAR4FFAR1MAPTL3MBTL1MEN1
SCHEMBL26311955 0.88 MAPT (0.59) FFAR4FFAR1MAPTL3MBTL1MEN1
SCHEMBL26312220 0.86 MAPT (0.53) PDK2FFAR4FFAR1MAPTL3MBTL1
SCHEMBL26311892 0.85 FFAR4 (0.48) PDK2FFAR4FFAR1MAPTL3MBTL1
SCHEMBL14124714 0.83 MAPT (0.72) FFAR1MAPTL3MBTL1MEN1ALDH1A1
SCHEMBL15787053 0.82 ACSL1 (0.52) PDK2FFAR4FFAR1PPARGPPARA
SCHEMBL9133025 0.81 PDK2 (0.53) PDK2FFAR4PPARA
SCHEMBL19126084 0.81 ALDH1A1 (0.53) PDK2MAPTL3MBTL1MEN1NPC1
SCHEMBL18015983 0.81 MAPT (0.69) PDK2MAPTL3MBTL1MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118420461-A Carboxy anthraquinone derivative, immunosensor, preparation method and application thereof 中芯维康医疗科技(重庆)有限责任公司 2024-08-02 CN disclosed