SCHEMBL182725

SCHEMBL182725

CCCCCCCCC1COc2c(C(=O)OCC)[nH]c(C(=O)OCC)c2OC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 6/20 0.41
HTT P42858 3/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 5/20 0.38
TSHR P16473 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
HPGD P15428 3/20 0.36
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 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
SCHEMBL2721524 0.92 LMNA (0.39) LMNAMAPK1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL2723482 0.87 LMNA (0.36) LMNAMAPK1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL182802 0.83 CYP1A2 (0.39) ALDH1A1HTTCYP1A2POLBTP53
SCHEMBL182724 0.80 LMNA (0.40) LMNAMAPK1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL182763 0.79 TDP1 (0.37) LMNAMAPK1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL182721 0.76 LMNA (0.43) LMNAMAPK1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL183021 0.73 TDP1 (0.34) LMNAMAPK1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL10745642 0.72 CYP1A2 (0.36) LMNAMAPK1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL2935528 0.68 KMT2A (0.38) LMNAMAPK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL22748453 0.68 NPSR1 (0.38) LMNAMAPK1SMN1; SMN2NPSR1ALDH1A1

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