SCHEMBL9308261

SCHEMBL9308261

CC1CC2OC2CC1C(=O)O.CC1CC2OC2CC1C(=O)O.CCC(CO)(CO)CO.OCC=CCO.OCC=CCO.OCC=CCO

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPP5C P53041 1/20 0.33
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 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
SCHEMBL259150 0.89 PPP5C (0.40) PPP5C
Ethylene Glycol SCHEMBL11275449 0.77 PPP5C (0.43) PPP5C
SCHEMBL1648856 0.77 PPP5C (0.48) PPP5CGRM2
SCHEMBL693235 0.77 PPP5C (0.48) PPP5CGRM2
SCHEMBL9656253 0.73 PPM1B (0.36) PPP5CGRM2GRM3
SCHEMBL9654483 0.73 PPM1B (0.36) PPP5CGRM2GRM3
SCHEMBL6036508 0.73 PPM1B (0.36) PPP5CGRM2GRM3
Di(Hydroxyethyl)Ether SCHEMBL258871 0.71 PPP5C (0.38) PPP5C
SCHEMBL259063 0.70 PPM1B (0.36) PPP5CGRM2GRM3
Ethohexadiol SCHEMBL8734288 0.68 LMNA (0.49) PPP5C

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-5330820-A Fiber network ALLIEDSIGNAL INC. (US) 1994-07-19 US disclosed