SCHEMBL28022209

SCHEMBL28022209

CC(C)(C)OC(=O)CCC(O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.57
LMNA P02545 1/20 0.43
CTSK P43235 3/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
CTSS P25774 1/20 0.41
BCAT2 O15382 1/20 0.39

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
SCHEMBL28970083 0.87 CNR1 (0.45) RIPK1CTSKCTSS
SCHEMBL7026529 0.84 MEN1 (0.41) RIPK1
SCHEMBL28857505 0.83 RIPK1 (0.51) RIPK1LMNACTSKCTSSBCAT2
SCHEMBL5654433 0.83 RIPK1 (0.51) RIPK1LMNACTSKCTSSBCAT2
SCHEMBL12155250 0.83 CTSK (0.40) RIPK1CTSKCTSS
SCHEMBL1520986 0.81 CA12 (0.49) RIPK1LMNAPPARGBCAT2
SCHEMBL10042377 0.81 CA12 (0.49) RIPK1LMNAPPARGBCAT2
SCHEMBL7907846 0.80 APP (0.37) RIPK1PPARGAAK1
SCHEMBL2512047 0.79 CYP3A4 (0.49) RIPK1LMNAPPARGPPARA
Biphenyl SCHEMBL28145666 0.78 MTNR1A (0.40) CTSKCTSS

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
CN-104884423-A methanofullerene ROBINSON ALEX PHILIP GRAHAM 2015-09-02 CN disclosed