SCHEMBL28879401

SCHEMBL28879401

CCOC(=O)C(O)(Cc1ccccc1)C(O)(Cc1ccccc1)C(=O)OCC

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
MMP8 P22894 2/20 0.60
RECQL P46063 1/20 0.60
POLB P06746 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
PIN1 Q13526 1/20 0.51
PPID Q08752 1/20 0.46
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
TAAR1 Q96RJ0 2/20 0.44
THRB P10828 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 2/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL12555524 0.90 POLB (0.65) ALDH1A1MMP8RECQLPOLBNPSR1
SCHEMBL9531046 0.89 ALDH1A1 (0.51) ALDH1A1MMP8RECQLPOLBNPSR1
SCHEMBL8661661 0.86 MMP8 (0.60) ALDH1A1MMP8RECQLPOLBNPSR1
SCHEMBL30513307 0.86 ALDH1A1 (0.60) ALDH1A1MMP8RECQLPOLBNPSR1
SCHEMBL12574782 0.84 MMP8 (0.63) ALDH1A1MMP8RECQLPOLBNPSR1
SCHEMBL4419400 0.84 ALDH1A1 (0.62) ALDH1A1MMP8RECQLPOLBNPSR1
SCHEMBL5806489 0.84 ALDH1A1 (0.62) ALDH1A1MMP8RECQLPOLBNPSR1
SCHEMBL14872349 0.83 MMP8 (0.57) ALDH1A1MMP8RECQLPOLBNPSR1
SCHEMBL14861332 0.83 MMP8 (0.57) ALDH1A1MMP8RECQLPOLBNPSR1
SCHEMBL17027466 0.83 ALDH1A1 (0.57) ALDH1A1MMP8RECQLPOLBNPSR1

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-115286510-A L-tartaric acid di-tert-butyl ester crystal form and preparation method thereof 山东药品食品职业学院 2022-11-04 CN disclosed