SCHEMBL182727

SCHEMBL182727

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

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 2/20 0.31
MAPK1 P28482 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2D6 P10635 1/20 0.31
CA2 P00918 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.30
TSHR P16473 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
SCHEMBL182762 0.95 TDP1 (0.33) CTDSP1TDP1ALDH1A1MAPTHTT
SCHEMBL182421 0.91 LMNA (0.30) HTTLMNAMAPK1SMN1; SMN2TSHR
SCHEMBL183020 0.87 CTDSP1 (0.32) CTDSP1TDP1ALDH1A1MAPTHTT
SCHEMBL182728 0.82 TDP1 (0.35) CTDSP1TDP1ALDH1A1MAPTHTT
SCHEMBL182763 0.80 TDP1 (0.37) CTDSP1TDP1ALDH1A1MAPTHTT
SCHEMBL182724 0.78 LMNA (0.40) TDP1ALDH1A1MAPTHTTLMNA
SCHEMBL182446 0.74 TSHR (0.36) CTDSP1TDP1ALDH1A1MAPTLMNA
SCHEMBL183021 0.73 TDP1 (0.34) CTDSP1TDP1ALDH1A1MAPTHTT
SCHEMBL182422 0.73 CA2 (0.34) CTDSP1TDP1ALDH1A1HTTLMNA
SCHEMBL182657 0.64 ALDH1A1 (0.32) ALDH1A1CA2CYP3A4TSHR

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