SCHEMBL6731039

SCHEMBL6731039

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
EPHX1 P07099 3/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ALDH1A1 P00352 4/20 0.33
HSD11B1 P28845 1/20 0.33
TSHR P16473 2/20 0.32
RECQL P46063 1/20 0.32
NAAA Q02083 1/20 0.32
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 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
SCHEMBL6728457 0.98 SMN1; SMN2 (0.40) SMN1; SMN2HSD17B10CES2CES1ADRB2
Trifluoromethanesulfonic Acid SCHEMBL7159616 0.86 SMN1; SMN2 (0.31) SMN1; SMN2HSD17B10
Trifluoromethanesulfonic Acid SCHEMBL7157320 0.84 SMN1; SMN2 (0.32) SMN1; SMN2HSD17B10
SCHEMBL7159586 0.82 NAAA (0.34) NAAA
SCHEMBL6723630 0.80 ALDH1A1 (0.42) HSD17B10ALDH1A1TSHRRAB9A
SCHEMBL6728549 0.80
SCHEMBL7160646 0.80 NAAA (0.32) NAAA
SCHEMBL6723299 0.79 CES2 (0.44) SMN1; SMN2HSD17B10CES2CES1EPHX1
SCHEMBL6726175 0.79 CA1 (0.31)
SCHEMBL6727866 0.78 KMT2A (0.40) ALDH1A1TSHRRAB9A

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