SCHEMBL29960229

SCHEMBL29960229

COc1ccccc1[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.53
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GPR119 Q8TDV5 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TGFBR1 P36897 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
USP30 Q70CQ3 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TACR1 P25103 1/20 0.42
TP53 P04637 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
SCHEMBL29959780 1.00 PDE4B (0.53) PDE4BMEN1KMT2AGPR119JAK2
SCHEMBL10841569 0.89 PDE4B (0.50) PDE4BMEN1KMT2AKDM4EPDE4A
SCHEMBL29960667 0.87 TERT (0.48) PDE4BGPR119JAK2JAK1KDM4E
SCHEMBL23982323 0.83 PDE4B (0.52) PDE4BMEN1KMT2AGPR119JAK2
SCHEMBL16141295 0.83 TACR1 (0.54) PDE4BGPR119JAK2JAK1KDM4E
SCHEMBL4709680 0.83 TACR1 (0.54) PDE4BGPR119JAK2JAK1KDM4E
SCHEMBL4710562 0.83 TACR1 (0.54) PDE4BGPR119JAK2JAK1KDM4E
SCHEMBL16108769 0.83 TACR1 (0.54) PDE4BGPR119JAK2JAK1KDM4E
SCHEMBL25044033 0.82 MEN1 (0.59) PDE4BMEN1KMT2AGPR119ALDH1A1
SCHEMBL29960410 0.81 PDE4B (0.47) PDE4BMEN1KMT2AGPR119JAK2

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-2022204150-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS BLUE OAK PHARMACEUTICALS, INC. (US) 2022-09-29 WO disclosed