SCHEMBL8516656

SCHEMBL8516656

CCCCCOC1(C)CCC(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 13/20 0.48
SIRT2 Q8IXJ6 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PSEN1 P49768 3/20 0.35

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
SCHEMBL19066485 0.74 PRKCA (0.36) PRKCASIRT2CYP2C9CYP2C19MEN1
SCHEMBL3659630 0.70 SIRT2 (0.50) PRKCASIRT2
SCHEMBL383923 0.69 IDO1 (0.31) CYP2C9CYP2C19MEN1RECQLKMT2A
SCHEMBL3659625 0.69 SIRT2 (0.53) PRKCASIRT2
SCHEMBL10186569 0.69 SIRT2 (0.53) PRKCASIRT2
SCHEMBL112728 0.69 SIRT2 (0.53) PRKCASIRT2
SCHEMBL15526485 0.69 SIRT2 (0.53) PRKCASIRT2
SCHEMBL10186571 0.69 SIRT2 (0.53) PRKCASIRT2
SCHEMBL6236129 0.69 PRKCA (0.44) PRKCASIRT2
SCHEMBL16016875 0.69 SIRT2 (0.46) PRKCASIRT2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888436-A1 SOLID COMPOSITION OF HETEROCYCLIC COMPOUNDS AND/OR OXIME ESTERS AND INERT POROUS CARRIER MATERIALS BASF AKTIENGESELLSCHAFT (DE) 1999-01-07 EP disclosed
EP-0826025-A1 USE OF HETEROCYCLIC COMPOUNDS AS ACTIVATORS FOR INORGANIC PEROXY COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1998-03-04 EP disclosed
WO-1997033964-A1 SOLID COMPOSITION OF HETEROCYCLIC COMPOUNDS AND/OR OXIME ESTERS AND INERT POROUS CARRIER MATERIALS BASF AKTIENGESELLSCHAFT (DE) 1997-09-18 WO disclosed
WO-1996036686-A1 USE OF HETEROCYCLIC COMPOUNDS AS ACTIVATORS FOR INORGANIC PEROXY COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1996-11-21 WO disclosed