SCHEMBL9656002

SCHEMBL9656002

CC(=COC=C(C)C1CCCCC1)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
MGLL Q99685 1/20 0.32
CTSK P43235 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
TSHR P16473 2/20 0.30
RECQL P46063 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL2352505 0.76 CES2 (0.41) CES2CES1MGLLCTSKHDAC8
SCHEMBL9876587 0.76 CES2 (0.41) CES2CES1MGLLCTSKHDAC8
SCHEMBL1288230 0.76 CES2 (0.41) CES2CES1MGLLCTSKHDAC8
SCHEMBL9298678 0.73
SCHEMBL11789278 0.73
SCHEMBL3019233 0.72 CES2 (0.38) CES2CES1MGLLCTSKHDAC8
SCHEMBL3019236 0.72 CES2 (0.38) CES2CES1MGLLCTSKHDAC8
SCHEMBL6130554 0.72 CES2 (0.38) CES2CES1MGLLHDAC8HDAC6
SCHEMBL8662238 0.70 CES2 (0.32) CES2CES1
SCHEMBL4857238 0.68 CES2 (0.35) CES2CES1MGLLCTSKHDAC8

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-0222157-B1 RESIN COMPOSITION DAINIPPON INK AND CHEMICALS, INC. (JP) 1992-12-30 EP claimed