SCHEMBL409402

SCHEMBL409402

CCC(=O)OCC1CCC(COC(=O)CS)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NAAA Q02083 1/20 0.34
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
WRN Q14191 1/20 0.32
HIF1A Q16665 1/20 0.32
SLC1A3 P43003 2/20 0.30
SLC1A2 P43004 2/20 0.30
SLC1A1 P43005 2/20 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
SCHEMBL256681 0.90
SCHEMBL13878656 0.90 LMNA (0.47) LMNANAAAALDH1A1CYP1A2HPGD
SCHEMBL97833 0.90 LMNA (0.47) LMNATSHRHSD17B10ALDH1A1SLC1A3
Hydrochloric Acid SCHEMBL29367855 0.88 LMNA (0.46) LMNANAAAALDH1A1CYP1A2HPGD
SCHEMBL19980827 0.82 LMNA (0.42) LMNANAAAALDH1A1CYP1A2HPGD
SCHEMBL14944489 0.82 LMNA (0.42) LMNATSHRHSD17B10NAAAALDH1A1
SCHEMBL10072658 0.82 LMNA (0.58) LMNANAAASLC1A3SLC1A2SLC1A1
SCHEMBL10072208 0.82 LMNA (0.53) LMNANAAAALDH1A1CYP1A2HPGD
SCHEMBL8960312 0.81 LMNA (0.48) LMNATSHRNAAAALDH1A1SLC1A3
SCHEMBL8403203 0.80 LMNA (0.61) LMNANAAASLC1A3SLC1A2SLC1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8816021-B2 Curable composition with rubber-like properties DESIGNER MOLECULES, INC. (US) 2014-08-26 US disclosed
US-20120065336-A1 CURABLE COMPOSITION WITH RUBBER-LIKE PROPERTIES DESIGNER MOLECULES, INC. (US) 2012-03-15 US disclosed