SCHEMBL2723482

SCHEMBL2723482

CCCCCCCCC1COc2c(C(=O)OCC)[nH]c(C3OC(C)O3)c2OC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 4/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 2/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 4/20 0.32
TSHR P16473 1/20 0.32
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP1A2 P05177 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
CYP3A4 P08684 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
SCHEMBL182725 0.87 LMNA (0.43) LMNAMAPK1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL2721524 0.81 LMNA (0.39) LMNAMAPK1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL182802 0.72 CYP1A2 (0.39) ALDH1A1HTTPOLBCYP1A2
SCHEMBL182724 0.69 LMNA (0.40) LMNAMAPK1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL182763 0.68 TDP1 (0.37) LMNAMAPK1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL182721 0.66 LMNA (0.43) LMNAMAPK1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL183021 0.65 TDP1 (0.34) LMNAMAPK1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL10745642 0.64 CYP1A2 (0.36) LMNAMAPK1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL2935528 0.61 KMT2A (0.38) LMNAMAPK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL22748454 0.60 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 1 patent. 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