SCHEMBL5083435

SCHEMBL5083435

CC(C)(CO)COC(=O)CCCCC(=O)O.O=C(O)c1ccc(C(=O)OCCCCO)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.40
HTT P42858 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 3/20 0.36
CYP1A2 P05177 2/20 0.36
TSHR P16473 2/20 0.36
CYP2C19 P33261 2/20 0.36
ESR1 P03372 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
NR1H2 P55055 1/20 0.36
RNASEL Q05823 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL11237291 0.88 HTT (0.39) TDP1HTTL3MBTL1MAPTNPC1
SCHEMBL11048926 0.84 LTB4R (0.40) TDP1HTTNPC1LMNATSHR
SCHEMBL11042836 0.84 LTB4R (0.40) TDP1HTTNPC1LMNATSHR
SCHEMBL26795349 0.83 TDP1 (0.53) TDP1HTTL3MBTL1MAPTNPC1
SCHEMBL5852269 0.82 TDP1 (0.54) TDP1HTTL3MBTL1MAPTNPC1
Terephthalic Acid SCHEMBL2186287 0.82 HTT (0.50) TDP1HTTL3MBTL1NPC1ALDH1A1
1,4-Butanediol SCHEMBL3703747 0.82 GPR84 (0.48) TDP1ALDH1A1LMNATSHRESR1
SCHEMBL18813866 0.81 SERPINE1 (0.40) TDP1HTTL3MBTL1MAPTNPC1
Terephthalic Acid SCHEMBL29140957 0.80 HTT (0.52) TDP1HTTNPC1TSHRMAPK1
SCHEMBL1553164 0.80 TDP1 (0.53) TDP1HTTL3MBTL1MAPTNPC1

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-1961790-A1 AQUEOUS COATING COMPOSITION, ORGANIC/INORGANIC COMPOSITE COATING FILM AND METHOD FOR PRODUCING SAME DIC Corporation (JP) 2008-08-27 EP disclosed