SCHEMBL8302357

SCHEMBL8302357

CC(C)(C)OC(=O)N1C[C@H](SC(=O)c2ccccc2)[C@@H](O)C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
USP30 Q70CQ3 4/20 0.44
RORC P51449 3/20 0.44
GPR119 Q8TDV5 1/20 0.43
NAMPT P43490 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGDS O60760 3/20 0.39

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
SCHEMBL8303730 1.00 KDM4E (0.45) KDM4EPKMUSP30RORCGPR119
SCHEMBL26301615 0.89 KDM4E (0.50) KDM4EPKMUSP30GPR119MEN1
SCHEMBL27400480 0.89 KDM4E (0.46) KDM4EPKMUSP30RORCGPR119
SCHEMBL21072534 0.86 USP30 (0.54) KDM4EPKMUSP30RORCGPR119
SCHEMBL21072537 0.86 USP30 (0.54) KDM4EPKMUSP30RORCGPR119
SCHEMBL21072536 0.86 USP30 (0.54) KDM4EPKMUSP30RORCGPR119
SCHEMBL21640298 0.85 KDM4E (0.49) KDM4EPKMUSP30RORCGPR119
SCHEMBL27160438 0.82 RORC (0.46) KDM4EPKMUSP30RORCGPR119
SCHEMBL27160443 0.82 RORC (0.46) KDM4EPKMUSP30RORCGPR119
SCHEMBL7670902 0.81 GAA (0.47) KDM4EPKMUSP30RORCGPR119

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-2005032541-A1 SUBSTITUTED HETEROCYCLIC MERCAPTOSULFIDE INHIBITORS FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2005-04-14 WO disclosed