SCHEMBL28262129

SCHEMBL28262129

CC(C)OC(=O)C(C)CCOc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 2/20 0.48
MAPK1 P28482 1/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MTNR1A P48039 4/20 0.45
MTNR1B P49286 4/20 0.45
PKM P14618 2/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
THRB P10828 1/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL28578726 0.86 PPARG (0.48) TDP1MAPTMAPK1HPGDALDH1A1
SCHEMBL23606011 0.86 MAPT (0.47) TDP1MAPTMAPK1HPGDALDH1A1
SCHEMBL19187794 0.83 TDP1 (0.51) TDP1MAPTMAPK1HPGDALDH1A1
SCHEMBL1716121 0.83 MAPK1 (0.53) TDP1MAPTMAPK1HPGDALDH1A1
SCHEMBL13235836 0.81 MTNR1A (0.53) TDP1MAPTMAPK1HPGDALDH1A1
SCHEMBL353031 0.80 PARP10 (0.53) TDP1MAPTMAPK1HPGDALDH1A1
SCHEMBL7640173 0.79 TDP1 (0.61) TDP1MAPTMAPK1HPGDALDH1A1
SCHEMBL20180715 0.78 TSHR (0.49) TDP1MAPK1ALDH1A1L3MBTL1TSHR
SCHEMBL20180695 0.78 TSHR (0.49) TDP1MAPK1ALDH1A1L3MBTL1TSHR
SCHEMBL19746095 0.78 TSHR (0.49) TDP1MAPK1ALDH1A1L3MBTL1TSHR

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-108947806-A A kind of preparation method of chlorobenzene oxycarboxylic acid amine salt 山东润博生物科技有限公司 2018-12-07 CN disclosed