SCHEMBL8747873

SCHEMBL8747873

CC(=O)C1(c2cccc(C)c2)CCC(=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.52
HCAR2 Q8TDS4 1/20 0.40
MEN1 O00255 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40
CCR2 P41597 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
SLC6A2 P23975 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CHRND Q07001 1/20 0.38

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
SCHEMBL1447883 0.82 MEN1 (0.55) HDAC4MEN1CYP2C9KMT2AHSD11B1
SCHEMBL615351 0.79 OPRM1 (0.51) HDAC4HCAR2MEN1CYP2C9KMT2A
SCHEMBL11704952 0.78 HDAC4 (0.44) HDAC4HCAR2MEN1CYP2C9KMT2A
SCHEMBL9729492 0.78 MEN1 (0.60) HDAC4HCAR2MEN1CYP2C9KMT2A
SCHEMBL1561226 0.75 HDAC4 (0.59) HDAC4HCAR2MEN1CYP2C9KMT2A
SCHEMBL3922847 0.74 OPRL1 (0.47) HDAC4MEN1CYP2C9KMT2ALMNA
Ethylene SCHEMBL11093865 0.74 HDAC4 (0.41) HDAC4HCAR2MEN1CYP2C9KMT2A
SCHEMBL13334110 0.73 HDAC4 (0.58) HDAC4HCAR2MEN1CYP2C9KMT2A
SCHEMBL1561425 0.73 HDAC4 (0.58) HDAC4HCAR2MEN1CYP2C9KMT2A
SCHEMBL27907597 0.73 HDAC4 (0.67) HDAC4HCAR2MEN1CYP2C9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0599732-B1 Derivatives of 1-phenylbicyclo-2,2,2-octane, their preparation process and pharmaceutical compositions containing them ADIR (FR) 1997-03-12 EP disclosed
US-5403953-A Antiarthritic and -inflammatory agents ADIR ET COMPAGNIE (FR) 1995-04-04 US disclosed
EP-0599732-A1 Derivatives of 1-phenylbicyclo-2,2,2-octane, their preparation process and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-06-01 EP disclosed