SCHEMBL8535927

SCHEMBL8535927

CCOC(=O)CC(CC(=O)OCC)C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
HTT P42858 2/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 4/20 0.47
TSHR P16473 2/20 0.47
HPGD P15428 2/20 0.45
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
LMNA P02545 2/20 0.44
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP12 P39900 1/20 0.43
MMP14 P50281 1/20 0.43
MMP15 P51511 1/20 0.43
MMP16 P51512 1/20 0.43
MMP26 Q9NRE1 1/20 0.43

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
SCHEMBL27497689 0.96 MMP2 (0.50) ALDH1A1MEN1KMT2AL3MBTL1HTT
SCHEMBL8533584 0.79 MMP2 (0.55) ALDH1A1L3MBTL1HTTSMN1; SMN2MAPT
SCHEMBL6341119 0.78 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ANPC1MAPT
SCHEMBL11244038 0.78 KMT2A (0.54) ALDH1A1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL4270804 0.76 MAPT (0.61) ALDH1A1MEN1KMT2AL3MBTL1NPC1
SCHEMBL11732434 0.76 KMT2A (0.53) ALDH1A1MEN1KMT2AL3MBTL1HTT
SCHEMBL8532867 0.75 KMT2A (0.60) ALDH1A1MEN1KMT2AL3MBTL1HTT
SCHEMBL24106782 0.75 MEN1 (0.70) ALDH1A1MEN1KMT2AL3MBTL1NPC1
SCHEMBL570961 0.75 MEN1 (0.70) ALDH1A1MEN1KMT2AL3MBTL1NPC1
SCHEMBL7752972 0.75 SMN1; SMN2 (0.65) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2

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
EP-0885869-A1 THERAPEUTIC AGENT FOR DIABETES Japan Tobacco Inc. (JP) 1998-12-23 EP disclosed