SCHEMBL28064784

SCHEMBL28064784

O=C(O)CCCCC(=O)OCCOC(=O)c1ccc(C(=O)OCCOC(=O)CCCCC(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.52
NPC1 O15118 2/20 0.49
PPARA Q07869 1/20 0.49
ESR1 P03372 3/20 0.46
ESR2 Q92731 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 1/20 0.45
LMNA P02545 3/20 0.45
TSHR P16473 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
MAPK1 P28482 2/20 0.45
CYP2D6 P10635 1/20 0.45
NR1H2 P55055 1/20 0.45
RNASEL Q05823 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
DGKA P23743 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
PDE4D Q08499 1/20 0.44

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
SCHEMBL5891253 0.95 TDP1 (0.47) TDP1NPC1PPARAESR1ESR2
SCHEMBL9065162 0.93 TDP1 (0.62) TDP1NPC1PPARAESR1ESR2
SCHEMBL27871241 0.91 LMNA (0.60) NPC1ESR1L3MBTL1RAB9ALMNA
SCHEMBL5852269 0.90 TDP1 (0.54) TDP1NPC1PPARAESR1L3MBTL1
SCHEMBL26795349 0.89 TDP1 (0.53) TDP1NPC1PPARAESR1L3MBTL1
SCHEMBL1553164 0.89 TDP1 (0.53) TDP1NPC1PPARAESR1L3MBTL1
SCHEMBL2219999 0.89 HTT (0.49) TDP1NPC1PPARAESR1L3MBTL1
SCHEMBL16768591 0.88 TDP1 (0.51) TDP1NPC1PPARAESR1L3MBTL1
Phthalic Acid SCHEMBL11229405 0.86 TDP1 (0.54) TDP1NPC1PPARAESR1ESR2
SCHEMBL3206564 0.85 TDP1 (0.64) TDP1NPC1PPARAESR1ESR2

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-105874007-A BIODEGRADABLE POLYESTER RESIN COMPOUND FOR FOAMING AND FOAM OBTAINED THEREFROM 乐天精密化学株式会社 2016-08-17 CN claimed