SCHEMBL8271832

SCHEMBL8271832

CCCCOCC1OCC(OC(C)=O)C(OCCCC)[C@@H]1OCCCC

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ BCHE P06276 3/20 0.35
▸ GJB2 P29033 2/20 0.35
▸ PPP5C P53041 1/20 0.33
▸ SPHK2 Q9NRA0 1/20 0.33
▸ SPHK1 Q9NYA1 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL16127013 0.87 CA12 (0.40) ALDH1A1POLBGAA
SCHEMBL10181805 0.87 ALDH1A1 (0.40) ALDH1A1BCHE
SCHEMBL12203016 0.84 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1TDP1GJB2PPP5C
SCHEMBL14885826 0.84 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1TDP1GJB2PPP5C
SCHEMBL12157635 0.84 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1TDP1GJB2PPP5C
SCHEMBL14236382 0.84 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1TDP1GJB2PPP5C
SCHEMBL15747287 0.84 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1TDP1GJB2PPP5C
SCHEMBL18483303 0.84 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1TDP1GJB2PPP5C
SCHEMBL10182606 0.82 ALDH1A1 (0.42) ALDH1A1TDP1BCHE
SCHEMBL10039960 0.82 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1TDP1GJB2PPP5C

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
WO-2006017180-A2 GLYCOPEPTIDE DIMERS AND USES THEREOF PROGENICS PHARMACEUTICALS, INC. (US) 2006-02-16 — — WO disclosed
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