SCHEMBL6010233

SCHEMBL6010233

CCCCOCC1CO1.COCC1CO1.COCC1CO1

nearest known ligand 0.85

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.85
ALDH1A1 P00352 5/20 0.72
TDP1 Q9NUW8 1/20 0.72
TSHR P16473 4/20 0.63
MAPK1 P28482 1/20 0.42
PDK1 Q15118 1/20 0.41
CYP3A4 P08684 1/20 0.34
EPHX1 P07099 1/20 0.34

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
SCHEMBL2303875 1.00 SMN1; SMN2 (0.85) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL7969662 0.92
SCHEMBL2632267 0.92
SCHEMBL29089 0.92
Hydrochloric Acid SCHEMBL28432481 0.90 SMN1; SMN2 (0.96) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Ammonia Solution, Strong SCHEMBL5211569 0.90 SMN1; SMN2 (0.96) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Water SCHEMBL27710978 0.90 SMN1; SMN2 (0.96) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL28958239 0.90 SMN1; SMN2 (0.96) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Water SCHEMBL11082954 0.90 SMN1; SMN2 (0.96) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL28197580 0.90 SMN1; SMN2 (0.96) 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-1732707-B1 ACTIVATION METHOD COMMW SCIENT IND RES ORG (AU) 2015-04-22 EP claimed
EP-1732707-A2 ACTIVATION METHOD Bateman, Stuart Arthur (AU) 2006-12-20 EP disclosed
WO-2005089480-A2 ACTIVATION METHOD BATEMAN STUART ARTHUR (AU) 2005-09-29 WO disclosed