SCHEMBL6726376

SCHEMBL6726376

C[S+](CC(=O)C(C)(C)C)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
EPHX1 P07099 2/20 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
Trifluoromethanesulfonic Acid SCHEMBL7160158 0.86 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1LMNA
SCHEMBL7160437 0.82 ALDH1A1 (0.31) SMN1; SMN2ALDH1A1LMNA
SCHEMBL6736708 0.80 ALDH1A1 (0.30) SMN1; SMN2ALDH1A1LMNA
SCHEMBL6731916 0.79 CA1 (0.31)
SCHEMBL6728162 0.78 CES2 (0.32)
SCHEMBL6723423 0.74 CES2 (0.39) SMN1; SMN2HSD17B10ALDH1A1EPHX1
SCHEMBL6726511 0.74 CES2 (0.39) SMN1; SMN2HSD17B10ALDH1A1EPHX1
SCHEMBL6731227 0.74 TDP1 (0.35) ALDH1A1EPHX1
SCHEMBL6726281 0.73 EPHX1 (0.33) EPHX1
SCHEMBL6734047 0.72 NAAA (0.34) SMN1; SMN2ALDH1A1EPHX1

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-20040224251-A1 Positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-11 US disclosed