SCHEMBL13704253

SCHEMBL13704253

CCC(C)C(=O)OCC(=O)OC(C)c1cc(C)cc(C)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
NLRP3 Q96P20 2/20 0.36
TYR P14679 2/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.32
RECQL P46063 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32

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
SCHEMBL13704212 0.87 HTT (0.38) SMN1; SMN2POLBAPEX1KMT2AATM
SCHEMBL13704271 0.84 TYR (0.32) SMN1; SMN2TYR
SCHEMBL27994432 0.80 HTT (0.36) SMN1; SMN2NLRP3POLBKMT2AHTT
SCHEMBL13704261 0.80 HCAR2 (0.46) POLBKMT2AHTTKDM4EL3MBTL1
SCHEMBL13704250 0.78 ALDH1A1 (0.34) SMN1; SMN2NLRP3TYRKMT2AKDM4E
SCHEMBL13704302 0.77 ALOX5 (0.42) SMN1; SMN2POLBHTTL3MBTL1
SCHEMBL13704308 0.76 GPR139 (0.36) NLRP3TYRKMT2AHTTKDM4E
SCHEMBL13704265 0.76 UGT2B7 (0.43) KMT2AGAARECQL
SCHEMBL13704262 0.75 SMN1; SMN2 (0.40) SMN1; SMN2NLRP3TYRPOLBAPEX1
SCHEMBL13704274 0.75 CYP2D6 (0.39) RECQLL3MBTL1

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-20090226822-A1 RECORDING MEDIUM KABUSHIKI KAISHA TOSHIBA 2009-09-10 US disclosed