SCHEMBL8544211

SCHEMBL8544211

CCOC(=O)CC1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.56
PARP14 Q460N5 1/20 0.52
BLM P54132 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
GAA P10253 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
ALDH1A1 P00352 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
EPHX1 P07099 1/20 0.49

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
SCHEMBL9201642 0.87 HDAC3 (0.57) ACHEBLML3MBTL1GAAHDAC3
SCHEMBL12156641 0.87 MGLL (0.48) PARP14GAAMEN1KMT2A
SCHEMBL12911822 0.83 PARP14 (0.46) PARP14L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL11714504 0.82 ACHE (0.48) ACHEBLMGAAALDH1A1MEN1
SCHEMBL11714486 0.82 ACHE (0.48) ACHEBLMGAAALDH1A1MEN1
SCHEMBL11714496 0.82 ACHE (0.48) ACHEBLMGAAALDH1A1MEN1
SCHEMBL8410357 0.82 ITGB3 (0.51) PARP14
SCHEMBL12154736 0.81 ACHE (0.64) ACHEBLML3MBTL1HDAC3HDAC4
SCHEMBL10762328 0.81 ACHE (0.63) ACHEBLML3MBTL1HDAC3HDAC4
SCHEMBL2618044 0.81 ACHE (0.68) ACHEBLML3MBTL1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705258-B1 AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY KNOLL AG (DE) 1998-12-30 EP disclosed
US-5741800-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS KNOLL AKTIENGESELLACHAFT (DE) 1998-04-21 US disclosed
EP-0705258-A1 AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY Knoll AG (DE) 1996-04-10 EP disclosed
WO-1995000507-A1 AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY KNOLL AG (DE) 1995-01-05 WO disclosed
US-3989691-A FROM A QUINOLINE PRINCETON UNIVERSITY (US) 1976-11-02 US disclosed