SCHEMBL27582575

SCHEMBL27582575

Cc1cc(C)n(-c2ccc(CC(=O)O)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.57
CTSB P07858 1/20 0.57
MAPT P10636 5/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
LMNA P02545 1/20 0.56
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.52
TSHR P16473 1/20 0.49
QPCT Q16769 1/20 0.49
TP53 P04637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL5717760 0.86 MAPT (0.52) MAPTL3MBTL1TDP1LMNAALDH1A1
SCHEMBL23401444 0.86 LMNA (0.55) KLKB1CTSBMAPTL3MBTL1TDP1
SCHEMBL16115868 0.84 L3MBTL1 (0.53) MAPTL3MBTL1TDP1LMNAALDH1A1
SCHEMBL25235132 0.81 CYP2C9 (0.65) KLKB1CTSBLMNATSHRQPCT
SCHEMBL17255718 0.80 GAA (0.55) KLKB1CTSBMAPTL3MBTL1TDP1
SCHEMBL29120365 0.79 MAPT (0.67) MAPTL3MBTL1TDP1LMNAALDH1A1
SCHEMBL600209 0.79 GAA (0.65) MAPTL3MBTL1TDP1LMNAALDH1A1
SCHEMBL10140275 0.78 POLB (0.56) MAPTL3MBTL1TDP1ALDH1A1HPGD
SCHEMBL6098089 0.78 MAPT (0.50) MAPTL3MBTL1TDP1ALDH1A1HPGD
SCHEMBL2288170 0.77 MAPT (0.53) MAPTL3MBTL1TDP1ALDH1A1HPGD

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-1492874-A Macrolide antibiotics 2004-04-28 CN disclosed