SCHEMBL182762

SCHEMBL182762

CCCCC(CC)CC1COOc2c(C(=O)OCC)[nH]c(C(=O)OCC)c2C1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
LMNA P02545 3/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP3A4 P08684 2/20 0.32
CA2 P00918 1/20 0.32
TSHR P16473 3/20 0.31
ALOX15 P16050 1/20 0.31
BRD4 O60885 1/20 0.31
POLB P06746 2/20 0.31
GAA P10253 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL183020 0.91 CTDSP1 (0.32) TDP1ALDH1A1MAPTHTTCTDSP1
SCHEMBL182421 0.85 LMNA (0.30) HTTLMNAMAPK1SMN1; SMN2TSHR
SCHEMBL182724 0.82 LMNA (0.40) TDP1ALDH1A1MAPTHTTLMNA
SCHEMBL182763 0.82 TDP1 (0.37) TDP1ALDH1A1MAPTHTTCTDSP1
SCHEMBL182728 0.78 TDP1 (0.35) TDP1ALDH1A1MAPTHTTCTDSP1
SCHEMBL183021 0.76 TDP1 (0.34) TDP1ALDH1A1MAPTHTTCTDSP1
SCHEMBL182446 0.75 TSHR (0.36) TDP1ALDH1A1MAPTCTDSP1LMNA
SCHEMBL182422 0.68 CA2 (0.34) TDP1ALDH1A1HTTCTDSP1LMNA
SCHEMBL182657 0.66 ALDH1A1 (0.32) ALDH1A1CYP3A4CA2TSHR
SCHEMBL182720 0.65 LMNA (0.40) ALDH1A1MAPTHTTLMNAMAPK1

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