SCHEMBL14944489

SCHEMBL14944489

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 1/20 0.39
NAAA Q02083 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
NLRP3 Q96P20 2/20 0.33
TSHR P16473 1/20 0.33
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 0.31
SLC1A2 P43004 2/20 0.31
SLC1A1 P43005 2/20 0.31
PDK1 Q15118 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
SCHEMBL256681 0.92
SCHEMBL13878656 0.92 LMNA (0.47) LMNAALDH1A1NAAACYP1A2HPGD
Hydrochloric Acid SCHEMBL29367855 0.90 LMNA (0.46) LMNAALDH1A1NAAACYP1A2HPGD
SCHEMBL6256094 0.87
SCHEMBL5696892 0.87 ALDH1A1 (0.43) LMNAALDH1A1HSD17B10JAK2JAK1
SCHEMBL17029138 0.87 ALDH1A1 (0.43) LMNAALDH1A1HSD17B10JAK2JAK1
Hydrochloric Acid SCHEMBL28064641 0.85
SCHEMBL23975037 0.85 LMNA (0.47) LMNAALDH1A1HSD17B10JAK2JAK1
SCHEMBL19980827 0.84 LMNA (0.42) LMNAALDH1A1NAAANLRP3CYP1A2
SCHEMBL10072658 0.83 LMNA (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130122424-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-16 US disclosed