SCHEMBL14740746

SCHEMBL14740746

COC(=O)c1cccc(CNC2CCCN(C(=O)OC(C)(C)C)C2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.56
ANO1 Q5XXA6 1/20 0.49
HTR6 P50406 3/20 0.44
BCHE P06276 2/20 0.44
BRD4 O60885 1/20 0.44
PARP1 P09874 1/20 0.43
TEAD1 P28347 2/20 0.43
HDAC6 Q9UBN7 2/20 0.42
HDAC4 P56524 1/20 0.42
ACKR3 P25106 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
HDAC1 Q13547 1/20 0.41
PPM1D O15297 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
SCHEMBL22222650 0.85 USP30 (0.62) USP30HTR6BCHEACKR3KDM4E
SCHEMBL28779687 0.85 USP30 (0.62) USP30HTR6BCHEACKR3KDM4E
SCHEMBL28779720 0.82 USP30 (0.58) USP30HTR6BCHEACKR3KDM4E
SCHEMBL28779718 0.82 USP30 (0.58) USP30HTR6BCHEACKR3KDM4E
SCHEMBL6503017 0.82 USP30 (0.52) USP30HTR6BCHE
SCHEMBL14744625 0.81 KDM4E (0.52) USP30HTR6BCHEACKR3KDM4E
SCHEMBL29577021 0.80 USP30 (0.47) USP30ANO1PARP1HDAC6HDAC4
SCHEMBL22774219 0.80 USP30 (0.47) USP30ANO1PARP1HDAC6HDAC4
SCHEMBL17605512 0.79 USP30 (0.50) USP30BCHEBRD4PARP1HDAC6
SCHEMBL17605154 0.79 USP30 (0.50) USP30BCHEBRD4PARP1HDAC6

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-2013033310-A1 MODULATORS OF REV-ERB KAMENECKA THEODORE MARK (US) 2013-03-07 WO disclosed