SCHEMBL182763

SCHEMBL182763

CCCCC(CC)CC1COc2c(C(=O)OCC)[nH]c(C(=O)OCC)c2OC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
ALDH1A1 P00352 7/20 0.36
CYP3A4 P08684 4/20 0.36
CA2 P00918 1/20 0.36
HTT P42858 2/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 5/20 0.35
ALOX15 P16050 1/20 0.35
ATM Q13315 1/20 0.35
LMNA P02545 5/20 0.34
MAPK1 P28482 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 2/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL182728 0.96 TDP1 (0.35) TDP1CTDSP1ALDH1A1CYP3A4CA2
SCHEMBL183021 0.92 TDP1 (0.34) TDP1CTDSP1ALDH1A1CYP3A4CA2
SCHEMBL182422 0.85 CA2 (0.34) TDP1CTDSP1ALDH1A1CYP3A4CA2
SCHEMBL182762 0.82 TDP1 (0.33) TDP1CTDSP1ALDH1A1CYP3A4CA2
SCHEMBL182727 0.80 CTDSP1 (0.32) TDP1CTDSP1ALDH1A1CYP3A4CA2
SCHEMBL182725 0.79 LMNA (0.43) ALDH1A1CYP3A4HTTMAPTTSHR
SCHEMBL182447 0.75 TSHR (0.40) TDP1CTDSP1ALDH1A1CYP3A4CA2
SCHEMBL183020 0.75 CTDSP1 (0.32) TDP1CTDSP1ALDH1A1CYP3A4CA2
SCHEMBL2721524 0.72 LMNA (0.39) ALDH1A1CYP3A4HTTMAPTTSHR
SCHEMBL182658 0.71 ALDH1A1 (0.37) TDP1ALDH1A1CYP3A4CA2HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465962-B1 ELECTROCHROMIC POLYMERS AND POLYMER ELECTROCHROMIC DEVICES UNIV FLORIDA (US) 2012-01-04 EP disclosed
US-6791738-B2 CONTROLLING COLOR, BRIGHTNESS AND ENVIRONMENTAL STABILITY; POLY- 3,4-ALKYLENEDIOXYHETEROCYCLES UNIVERSITY OF FLORIDA 2004-09-14 US disclosed
US-20030174377-A1 Electrochromic polymers and polymer electrochromic devices UNIVERSITY OF FLORIDA 2003-09-18 US disclosed