SCHEMBL28633426

SCHEMBL28633426

CC(C)c1ccc(OCCCCCC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
PLA2G4B P0C869 5/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
POLB P06746 2/20 0.54
ALB P02768 1/20 0.54
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP13 P45452 1/20 0.51
KDM4E B2RXH2 1/20 0.51
USP5 P45974 1/20 0.50
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
FFAR1 O14842 1/20 0.49
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49

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
SCHEMBL15942954 0.93 MEN1 (0.55) PPARAMEN1KMT2ANPC1RAB9A
SCHEMBL28642231 0.87 GAA (0.53) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL28638458 0.87 GAA (0.53) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL31448424 0.86 PPARA (0.71) PPARAPLA2G4BL3MBTL1ALBFFAR1
SCHEMBL21073528 0.86 PPARA (0.71) PPARAPLA2G4BL3MBTL1ALBFFAR1
SCHEMBL29141429 0.86 PPARA (0.71) PPARAPLA2G4BL3MBTL1ALBFFAR1
SCHEMBL28655996 0.85 MEN1 (0.53) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL14158969 0.84 MEN1 (0.50) PPARAMEN1KMT2ANPC1RAB9A
SCHEMBL28651868 0.84 MEN1 (0.50) PPARAMEN1KMT2ANPC1RAB9A
SCHEMBL31448470 0.84 PPARA (0.73) PPARAPLA2G4BL3MBTL1TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113480418-A New compound and application thereof in preparing medicine for treating cancer 上海健康医学院 2021-10-08 CN claimed
CN-113480418-B Compound and application thereof in preparing medicine for treating cancer 上海健康医学院 2022-09-06 CN disclosed
CN-113480418-A New compound and application thereof in preparing medicine for treating cancer 上海健康医学院 2021-10-08 CN disclosed