SCHEMBL20053161

SCHEMBL20053161

CC(C)(C)OC(=O)N1CCN(OC(=O)c2ccccc2)C(CO)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
USP30 Q70CQ3 4/20 0.44
GPR119 Q8TDV5 2/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
STS P08842 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ABHD6 Q9BV23 1/20 0.41
DAGLA Q9Y4D2 1/20 0.41
ESRRB O95718 1/20 0.41
ESR1 P03372 1/20 0.41
ESRRA P11474 1/20 0.41
ESRRG P62508 1/20 0.41
ABCB1 P08183 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 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
SCHEMBL26427828 0.90 KDM4E (0.47) KDM4EPKMUSP30GPR119JAK2
SCHEMBL23422591 0.87 KDM4E (0.49) KDM4EPKMUSP30GPR119JAK2
SCHEMBL23422676 0.85 KDM4E (0.45) KDM4EPKMUSP30GPR119JAK2
SCHEMBL21757345 0.85 KDM4E (0.48) KDM4EPKMUSP30GPR119JAK2
SCHEMBL27952715 0.84 SMARCA2 (0.48) KDM4EPKMUSP30GPR119JAK2
SCHEMBL20053162 0.84 KDM4E (0.47) KDM4EPKMUSP30GPR119JAK2
SCHEMBL21413789 0.82 KDM4E (0.45) KDM4EPKMUSP30GPR119JAK2
SCHEMBL26427830 0.82 KDM4E (0.45) KDM4EPKMUSP30GPR119JAK2
SCHEMBL20612838 0.82 KDM4E (0.45) KDM4EPKMUSP30GPR119JAK2
SCHEMBL26427824 0.81 USP30 (0.47) KDM4EPKMUSP30GPR119JAK2

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
US-9944658-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2018-04-17 US disclosed