SCHEMBL28807014

SCHEMBL28807014

CC(OC(C)(C)C)S(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
HTR6 P50406 3/20 0.38
ATM Q13315 1/20 0.38
PSIP1 O75475 1/20 0.38
TSHR P16473 3/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
HSD11B1 P28845 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35

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
SCHEMBL24983190 0.77 ATM (0.41) KDM4EATMTSHRHSD17B10LMNA
SCHEMBL1038429 0.76 CA12 (0.43) KDM4EHTR6ATMPSIP1TSHR
SCHEMBL27948847 0.74 HTR6 (0.39) KDM4EHTR6ATMPSIP1TSHR
SCHEMBL2032391 0.73 CA12 (0.40) KDM4EHTR6ATMPSIP1TSHR
SCHEMBL28635736 0.73 TSHR (0.47) KDM4EATMPSIP1TSHRHSD17B10
SCHEMBL8718445 0.73 KDM4E (0.38) KDM4EHTR6ATMPSIP1TSHR
SCHEMBL7098293 0.73 SMN1; SMN2 (0.45) KDM4EHTR6ATMPSIP1TSHR
SCHEMBL28023037 0.73 HTR6 (0.46) KDM4EHTR6PSIP1TSHRHSD17B10
SCHEMBL778854 0.72 HTR6 (0.50) KDM4EHTR6PSIP1TSHRHSD17B10
SCHEMBL4327138 0.72 HTR6 (0.50) KDM4EHTR6PSIP1TSHRHSD17B10

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
CN-103509135-A Olefin polymerization catalyst component, preparation method and application thereof CHINA PETROLEUM & CHEMICAL 2014-01-15 CN disclosed