SCHEMBL10008745

SCHEMBL10008745

CC(C(=O)OCC(C)C)=C(CC(C)(C)C)C(=O)OCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ALDH1A1 P00352 2/20 0.33
MMP8 P22894 1/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30
NR1H3 Q13133 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL10008744 1.00 TSHR (0.48) TSHRALDH1A1MMP8GAAMAPK1
SCHEMBL10011080 0.89 TSHR (0.50) TSHRALDH1A1MMP8SMN1; SMN2KDM4E
SCHEMBL10011085 0.89 TSHR (0.50) TSHRALDH1A1MMP8SMN1; SMN2KDM4E
SCHEMBL10010302 0.82 TSHR (0.44) TSHRALDH1A1MMP8KDM4E
SCHEMBL10009099 0.82 TSHR (0.44) TSHRALDH1A1MMP8SMN1; SMN2KDM4E
SCHEMBL10009101 0.82 TSHR (0.44) TSHRALDH1A1MMP8SMN1; SMN2KDM4E
SCHEMBL10010300 0.82 TSHR (0.44) TSHRALDH1A1MMP8KDM4E
SCHEMBL10011222 0.81 TSHR (0.43) TSHRALDH1A1MMP8
SCHEMBL10011220 0.81 TSHR (0.43) TSHRALDH1A1MMP8
SCHEMBL10010421 0.79 GLO1 (0.39) TSHRALDH1A1MMP8GAASMN1; SMN2

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-20120172551-A1 SOLID CATALYST FOR PROPYLENE POLYMERIZATION AND A METHOD FOR PREPARATION OF POLYPROPYLENE USING THE SAME SAMSUNG TOTAL PETROCHEMICALS CO., LTD. (KR) 2012-07-05 US disclosed