SCHEMBL4604426

SCHEMBL4604426

C(OCC1CO1)C1CO1.CCCC1(O)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 5/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL541812 0.78 TSHR (0.45) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL23152368 0.78 TSHR (0.45) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL322047 0.78 SLC6A4 (0.35) ALDH1A1TSHR
SCHEMBL27533799 0.78 SLC6A4 (0.35) ALDH1A1TSHR
SCHEMBL5049749 0.78 SLC6A4 (0.35) ALDH1A1TSHR
SCHEMBL1988629 0.78 SLC6A4 (0.35) ALDH1A1TSHR
SCHEMBL27146375 0.77 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL6384092 0.76 TSHR (0.47) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Cyclohexane SCHEMBL663994 0.75 TSHR (0.54) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Methyl Alcohol SCHEMBL2554783 0.75 TSHR (0.54) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1

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-1941304-A1 PLASTIC LENS AND MANUFACTURING METHOD OF PLASTIC LENS SEIKO EPSON CORPORATION (JP) 2008-07-09 EP disclosed
WO-2007043301-A9 PLASTIC LENS AND MANUFACTURING METHOD OF PLASTIC LENS SEIKO EPSON CORP (JP) 2007-06-07 WO disclosed
WO-2007043301-A1 PLASTIC LENS AND MANUFACTURING METHOD OF PLASTIC LENS SEIKO EPSON CORPORATION (JP) 2007-04-19 WO disclosed