SCHEMBL9630516

SCHEMBL9630516

CCCCOC(CCC)OCC1CO1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
ALDH1A1 P00352 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.32
ENPP2 Q13822 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31
PDK1 Q15118 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
SCHEMBL18111 0.89 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Water SCHEMBL10962120 0.87 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL1700173 0.85 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL7136109 0.85 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL37928 0.84 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL29069306 0.84 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL6563001 0.82 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1TDP1TSHRENPP2
SCHEMBL2919761 0.82 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1TDP1TSHRENPP2
SCHEMBL1002079 0.82 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1TDP1TSHRENPP2
SCHEMBL17102749 0.82 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1TDP1TSHRENPP2

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-0282503-B1 FIRE-RESISTANT STRAP FABRIC AND ARTICLE. C.M. OFFRAY & SON, INC. (US) 1992-05-27 EP disclosed