SCHEMBL13704271

SCHEMBL13704271

CCC(C)C(=O)OCC(=O)OC(C)c1cc(S)cc(S)c1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL13704196 0.88 HSD17B10 (0.33) HSD17B10
SCHEMBL13704250 0.85 ALDH1A1 (0.34) TYRSMN1; SMN2
SCHEMBL13704253 0.84 SMN1; SMN2 (0.39) TYRSMN1; SMN2
SCHEMBL13704261 0.79 HCAR2 (0.46) HSD17B10
SCHEMBL13704266 0.76 SMN1; SMN2 (0.32) SMN1; SMN2HSD17B10
SCHEMBL13704302 0.75 ALOX5 (0.42) SMN1; SMN2
SCHEMBL13704308 0.75 GPR139 (0.36) TYRHSD17B10
SCHEMBL13704265 0.75 UGT2B7 (0.43)
SCHEMBL13704315 0.74 CYP2D6 (0.39)
SCHEMBL13704274 0.74 CYP2D6 (0.39)

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
US-20090226822-A1 RECORDING MEDIUM KABUSHIKI KAISHA TOSHIBA 2009-09-10 US disclosed