SCHEMBL10344218

SCHEMBL10344218

CC(C)COC(=O)OC(CC(C)C)C(OC(=O)OCC(C)C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 2/20 0.34
ALOX15 P16050 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS1 P23219 1/20 0.33
APEX1 P27695 1/20 0.33
THPO P40225 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
PRKCA P17252 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
SCHEMBL10343947 0.86 ALDH1A1 (0.41) TDP1ALOX15ALDH1A1LMNA
SCHEMBL6898236 0.85 TSHR (0.43) TSHRTDP1ALDH1A1MEN1LMNA
SCHEMBL10344094 0.85 TSHR (0.43) TSHRTDP1ALDH1A1MEN1LMNA
SCHEMBL10344217 0.81 TSHR (0.38) TSHRALDH1A1
SCHEMBL10343951 0.81 TSHR (0.41) TSHRTDP1ALDH1A1MEN1LMNA
SCHEMBL19359781 0.77 TSHR (0.43) TSHRTDP1ALDH1A1MEN1LMNA
SCHEMBL19018966 0.76 TSHR (0.39) TSHRTDP1ALDH1A1MEN1LMNA
SCHEMBL6896815 0.72 TSHR (0.43) TSHRTDP1ALDH1A1MEN1LMNA
SCHEMBL3116763 0.72 TSHR (0.46) TSHRTDP1ALDH1A1MEN1LMNA
SCHEMBL14990950 0.72 ALDH1A1 (0.40) TSHRTDP1ALDH1A1

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
WO-2012096404-A1 SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-19 WO disclosed