SCHEMBL27677705

SCHEMBL27677705

CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ncc(CO)cc2Cl)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.47
PIK3CD O00329 2/20 0.44
ANO1 Q5XXA6 2/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
ADORA1 P30542 1/20 0.42
BTK Q06187 2/20 0.42
PIM1 P11309 2/20 0.41
PIM2 Q9P1W9 2/20 0.41
BRD4 O60885 1/20 0.40
HPGDS O60760 1/20 0.40

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
SCHEMBL27677658 0.94 PIK3CD (0.49) USP30PIK3CDCNR1CNR2ADORA1
SCHEMBL27696246 0.88 ALDH1A1 (0.49) CNR1CNR2ADORA1BTKBRD4
SCHEMBL21598995 0.87 CNR1 (0.47) USP30PIK3CDANO1CNR1CNR2
SCHEMBL4221845 0.85 JAK3 (0.42) BTK
SCHEMBL4218823 0.83 P2RY12 (0.45) USP30CNR1CNR2PIM1PIM2
SCHEMBL21750619 0.82 PIK3CD (0.49) USP30PIK3CDADORA1BTKBRD4
SCHEMBL31434311 0.82 PIK3CD (0.49) USP30PIK3CDADORA1BTKBRD4
SCHEMBL28767616 0.82 PIK3CD (0.49) USP30PIK3CDADORA1BTKBRD4
SCHEMBL27696270 0.82 USP30 (0.48) USP30PIK3CDANO1ADORA1BTK
SCHEMBL21599034 0.81 USP30 (0.47) USP30PIK3CDANO1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101001851-B Hydroxyamide compounds having activity as inhibitors of histone deacetylase (HDAC) ASTELLAS PHARMA INC 2011-04-20 CN disclosed
CN-101001851-A Hydroxyamide compounds having activity as inhibitors of histone deacetylase (HDAC) ASTELLAS PHARMA INC (JP) 2007-07-18 CN disclosed