SCHEMBL11969563

SCHEMBL11969563

CC(C)OOC(=O)C1CCCCC1.O=C([O-])C1CCCCC1.O=C([O-])C1CCCCC1.[Zr+2]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
MIF P14174 1/20 0.31
CA12 O43570 3/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA9 Q16790 3/20 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
SCHEMBL11969907 0.88 SMN1; SMN2 (0.40) SMN1; SMN2CHRM2CHRM4CHRM1CHRM3
SCHEMBL2198986 0.73 CES2 (0.58) SMN1; SMN2CHRM2CHRM4CHRM1CHRM3
SCHEMBL11743447 0.71 CES2 (0.50) SMN1; SMN2CES2CES1ALDH1A1LMNA
SCHEMBL5079485 0.71 CES2 (0.55) SMN1; SMN2CES2CES1ALDH1A1CA12
SCHEMBL6908748 0.71 CES2 (0.55) SMN1; SMN2CES2CES1ALDH1A1CA12
SCHEMBL25267333 0.71 CES2 (0.55) SMN1; SMN2CES2CES1ALDH1A1CA12
SCHEMBL8374916 0.71 CES2 (0.55) SMN1; SMN2CES2CES1ALDH1A1CA12
SCHEMBL6914870 0.71 CES2 (0.55) SMN1; SMN2CES2CES1ALDH1A1CA12
SCHEMBL6908797 0.71 CES2 (0.55) SMN1; SMN2CES2CES1ALDH1A1CA12
SCHEMBL23530251 0.71 CES2 (0.55) SMN1; SMN2CES2CES1ALDH1A1CA12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669583-B2 Heat-curable silicone resin composition for sealing optical semiconductors, and a sealed optical semiconductor using the same THE YOKOHAMA RUBBER CO., LTD. (JP) 2014-03-11 US disclosed
US-20120211797-A1 HEAT-CURABLE SILICONE RESIN COMPOSITION FOR SEALING OPTICAL SEMICONDUCTORS, AND A SEALED OPTICAL SEMICONDUCTOR USING THE SAME THE YOKOHAMA RUBBER CO., LTD. (JP) 2012-08-23 US disclosed