SCHEMBL8973996

SCHEMBL8973996

CCCCCCCCOC(=O)C12CCCCC1(C(=O)OCCCCCCCC)O2.O=C(O)C1(CCC2(C(=O)O)CCC3OC3C2)CCC2OC2C1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 9/20 0.33
NAAA Q02083 1/20 0.33
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PSEN1 P49768 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
SCHEMBL9657519 0.81 NAAA (0.40) PRKCANAAA
SCHEMBL4465960 0.79 CPT2 (0.33)
SCHEMBL2678283 0.79 NAAA (0.41) PRKCANAAAPSEN1
SCHEMBL9657732 0.79 CPT2 (0.33)
SCHEMBL17976527 0.79 NAAA (0.41) PRKCANAAAPSEN1
SCHEMBL11868533 0.79 CPT2 (0.33)
SCHEMBL4453917 0.79 CPT2 (0.33)
SCHEMBL11868031 0.79 CPT2 (0.33)
SCHEMBL10494391 0.79 NAAA (0.46) PRKCANAAAMAPK1
SCHEMBL454844 0.79 NAAA (0.46) PRKCANAAAMAPK1

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-5525645-A Resin composition for optical molding ASAHI DENKA KOGYO K.K. (JP) 1996-06-11 US disclosed