SCHEMBL14635683

SCHEMBL14635683

COC(=O)c1cccc([C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.46
TACR1 P25103 1/20 0.46
KDM4E B2RXH2 2/20 0.45
PKM P14618 1/20 0.45
STS P08842 1/20 0.43
PDE4B Q07343 2/20 0.43
GPR119 Q8TDV5 2/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
PTK2 Q05397 1/20 0.42
RBP4 P02753 1/20 0.41

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
SCHEMBL14635682 1.00 USP30 (0.46) USP30TACR1KDM4EPKMSTS
SCHEMBL15821722 0.87 PDE4B (0.57) USP30KDM4EPKMSTSPDE4B
SCHEMBL3862182 0.84 NAMPT (0.53) KDM4EPKMSTSPDE4BGPR119
SCHEMBL31706257 0.84 NAMPT (0.53) KDM4EPKMSTSPDE4BGPR119
SCHEMBL18759246 0.82 GPR119 (0.55) USP30TACR1KDM4EPKMSTS
SCHEMBL14635869 0.82 TACR1 (0.47) USP30TACR1KDM4ESTSPDE4B
SCHEMBL14635868 0.82 TACR1 (0.47) USP30TACR1KDM4ESTSPDE4B
SCHEMBL12354139 0.82 USP30 (0.55) USP30TACR1GPR119JAK2
SCHEMBL30379998 0.82 USP30 (0.46) USP30TACR1KDM4EPKMSTS
SCHEMBL26093646 0.82 USP30 (0.46) USP30TACR1KDM4EPKMSTS

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
WO-2013010453-A1 CHEMOKING RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2013-01-24 WO disclosed