SCHEMBL6726381

SCHEMBL6726381

CC(C)(C)C(=O)CC(S)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.38
ALDH1A1 P00352 2/20 0.37
EPHX2 P34913 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SHBG P04278 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
MMP2 P08253 2/20 0.32
CA9 Q16790 2/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL6736711 0.81 PDK1 (0.31) ALDH1A1LMNASMN1; SMN2PDK1PDK2
SCHEMBL6726347 0.80 ALDH1A1 (0.41) ALDH1A1EPHX2NPSR1LMNASMN1; SMN2
SCHEMBL6731920 0.80 F2 (0.32) PDK1PDK2PDK3PDK4
SCHEMBL5195787 0.78 ALDH1A1 (0.37) EPHX1ALDH1A1EPHX2LMNASMN1; SMN2
SCHEMBL5197831 0.78 ALDH1A1 (0.37) EPHX1ALDH1A1EPHX2LMNASMN1; SMN2
SCHEMBL5194211 0.78 ALDH1A1 (0.37) EPHX1ALDH1A1EPHX2LMNASMN1; SMN2
SCHEMBL5196170 0.78 ALDH1A1 (0.37) EPHX1ALDH1A1EPHX2LMNASMN1; SMN2
SCHEMBL14223783 0.77 ALDH1A1 (0.34) EPHX1ALDH1A1EPHX2NPSR1LMNA
SCHEMBL3071002 0.73 EPHX1 (0.41) EPHX1ALDH1A1LMNASMN1; SMN2HDAC6
SCHEMBL6726513 0.73 EPHX1 (0.41) EPHX1ALDH1A1LMNASMN1; SMN2HDAC6

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