SCHEMBL6728457

SCHEMBL6728457

C[S+](CC(=O)C1CCCC1)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
EPHX1 P07099 1/20 0.31
GAA P10253 1/20 0.31
ATM Q13315 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD11B1 P28845 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
SCHEMBL6731039 0.98 SMN1; SMN2 (0.39) SMN1; SMN2HSD17B10ADRB2ADRB1ADRB3
Trifluoromethanesulfonic Acid SCHEMBL7157320 0.86 SMN1; SMN2 (0.32) SMN1; SMN2HSD17B10
Trifluoromethanesulfonic Acid SCHEMBL7159616 0.84 SMN1; SMN2 (0.31) SMN1; SMN2HSD17B10
SCHEMBL7160646 0.81 NAAA (0.32)
SCHEMBL7159586 0.80 NAAA (0.34)
SCHEMBL6727866 0.79 KMT2A (0.40) ALDH1A1
SCHEMBL6730723 0.79 CA1 (0.30)
SCHEMBL6731152 0.79 CES2 (0.40) SMN1; SMN2HSD17B10CES2CES1EPHX1
SCHEMBL6727457 0.78 CA2 (0.32)
SCHEMBL6723630 0.78 ALDH1A1 (0.42) HSD17B10ALDH1A1

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