SCHEMBL6728464

SCHEMBL6728464

CC(C)(C)C(S)CC(=O)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
RAB9A P51151 1/20 0.32
EPHX1 P07099 2/20 0.31
CTSK P43235 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
SCHEMBL6731045 0.98 SMN1; SMN2 (0.38) SMN1; SMN2HSD17B10ADRB2ADRB1ADRB3
SCHEMBL6730728 0.81 CA1 (0.31)
SCHEMBL6727875 0.80 ALDH1A1 (0.42) HSD17B10RAB9A
SCHEMBL6727459 0.80 CA2 (0.30)
SCHEMBL6723639 0.79 ALDH1A1 (0.44) HSD17B10
SCHEMBL6726185 0.79
SCHEMBL5909830 0.71 CES2 (0.44) SMN1; SMN2CES2CES1EPHX1
SCHEMBL6726513 0.71 EPHX1 (0.41) SMN1; SMN2CES2CES1EPHX1
SCHEMBL3071002 0.71 EPHX1 (0.41) SMN1; SMN2CES2CES1EPHX1
SCHEMBL15959866 0.69 THRA (0.32) SMN1; SMN2HSD17B10

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