SCHEMBL7723550

SCHEMBL7723550

CCCCC(CC)(COC(=O)C1CC=CCC1C(=O)O)CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.40
MAPK1 P28482 1/20 0.37
TSHR P16473 1/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL7723555 0.95 L3MBTL1 (0.32) POLBMAPK1L3MBTL1
SCHEMBL16248496 0.79 POLB (0.39) POLBMAPK1TSHRGRM2GRM3
SCHEMBL5519757 0.73 POLB (0.43) POLBMAPK1TSHRGRM2GRM3
SCHEMBL5517151 0.72 MAPK1 (0.53) POLBMAPK1TSHRALDH1A1
SCHEMBL28553312 0.72 MAPK1 (0.53) POLBMAPK1TSHRALDH1A1
SCHEMBL28551224 0.72 POLB (0.47) POLBMAPK1TSHRTDP1ALDH1A1
SCHEMBL5523436 0.72 POLB (0.47) POLBMAPK1TSHRTDP1ALDH1A1
SCHEMBL28564418 0.71 POLB (0.55) POLBMAPK1TSHRALDH1A1
SCHEMBL28560041 0.71 POLB (0.40) POLBMAPK1TSHRTDP1ALDH1A1
SCHEMBL5529388 0.71 POLB (0.40) POLBMAPK1TSHRTDP1ALDH1A1

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
EP-1227078-A1 DICARBOXYLIC DIESTER, PROCESS FOR PRODUCING THE SAME, AND REFRIGERATING MACHINE LUBRICATING OIL COMPRISING THE ESTER NEW JAPAN CHEMICAL CO.,LTD. (JP) 2002-07-31 EP disclosed