SCHEMBL182728

SCHEMBL182728

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
ALDH1A1 P00352 7/20 0.34
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2C9 P11712 2/20 0.34
CA2 P00918 1/20 0.34
CYP2D6 P10635 1/20 0.34
LMNA P02545 5/20 0.33
TSHR P16473 5/20 0.33
MAPK1 P28482 4/20 0.33
HTT P42858 2/20 0.33
ALOX15 P16050 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 2/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ATM Q13315 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL182763 0.96 TDP1 (0.37) TDP1CTDSP1ALDH1A1CYP1A2CYP3A4
SCHEMBL182422 0.91 CA2 (0.34) TDP1CTDSP1ALDH1A1CYP3A4CA2
SCHEMBL183021 0.88 TDP1 (0.34) TDP1CTDSP1ALDH1A1CYP1A2CYP3A4
SCHEMBL182727 0.82 CTDSP1 (0.32) TDP1CTDSP1ALDH1A1CYP1A2CYP3A4
SCHEMBL182762 0.78 TDP1 (0.33) TDP1CTDSP1ALDH1A1CYP3A4CA2
SCHEMBL182725 0.76 LMNA (0.43) ALDH1A1CYP1A2CYP3A4CYP2C9LMNA
SCHEMBL182447 0.74 TSHR (0.40) TDP1CTDSP1ALDH1A1CYP3A4CA2
SCHEMBL182421 0.73 LMNA (0.30) LMNATSHRMAPK1HTTPOLB
SCHEMBL183020 0.72 CTDSP1 (0.32) TDP1CTDSP1ALDH1A1CYP3A4CA2
SCHEMBL2721524 0.69 LMNA (0.39) ALDH1A1CYP1A2CYP3A4CYP2C9LMNA

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 5 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
EP-1465962-A1 ELECTROCHROMIC POLYMERS AND POLYMER ELECTROCHROMIC DEVICES UNIVERSITY OF FLORIDA (US) 2004-10-13 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
WO-2003046106-A1 ELECTROCHROMIC POLYMERS AND POLYMER ELECTROCHROMIC DEVICES UNIVERSITY OF FLORIDA (US) 2003-06-05 WO disclosed