SCHEMBL27948847

SCHEMBL27948847

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.39
KDM4E B2RXH2 2/20 0.39
PSIP1 O75475 1/20 0.39
TSHR P16473 3/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
PLA2G7 Q13093 1/20 0.37
CA13 Q8N1Q1 1/20 0.37

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
SCHEMBL1038429 0.78 CA12 (0.43) HTR6KDM4EPSIP1TSHRHSD17B10
SCHEMBL8718445 0.74 KDM4E (0.38) HTR6KDM4EPSIP1TSHRHSD17B10
SCHEMBL2032391 0.74 CA12 (0.40) HTR6KDM4EPSIP1TSHRHSD17B10
SCHEMBL28807014 0.74 KDM4E (0.38) HTR6KDM4EPSIP1TSHRHSD17B10
SCHEMBL7098293 0.74 SMN1; SMN2 (0.45) HTR6KDM4EPSIP1TSHRHSD17B10
SCHEMBL28635736 0.74 TSHR (0.47) KDM4EPSIP1TSHRHSD17B10LMNA
SCHEMBL30930716 0.73 HTR6 (0.41) HTR6KDM4EPSIP1TSHRHSD17B10
SCHEMBL778854 0.73 HTR6 (0.50) HTR6KDM4EPSIP1TSHRHSD17B10
SCHEMBL4327138 0.73 HTR6 (0.50) HTR6KDM4EPSIP1TSHRHSD17B10
SCHEMBL9808496 0.73 TSHR (0.46) KDM4ETSHRHSD17B10LMNACA12

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