SCHEMBL29960667

SCHEMBL29960667

CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2O)[C@H](CO)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.48
GPR119 Q8TDV5 3/20 0.46
PDE4B Q07343 1/20 0.46
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
USP30 Q70CQ3 3/20 0.43
TACR1 P25103 1/20 0.43
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
STS P08842 1/20 0.42
HSD11B1 P28845 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 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 0.87 PDE4B (0.53) GPR119PDE4BJAK2JAK1KDM4E
SCHEMBL29960229 0.87 PDE4B (0.53) GPR119PDE4BJAK2JAK1KDM4E
SCHEMBL3062560 0.85 GPR119 (0.48) TERTGPR119JAK2JAK1KDM4E
SCHEMBL16108769 0.85 TACR1 (0.54) GPR119PDE4BJAK2JAK1KDM4E
SCHEMBL16141295 0.85 TACR1 (0.54) GPR119PDE4BJAK2JAK1KDM4E
SCHEMBL4709680 0.85 TACR1 (0.54) GPR119PDE4BJAK2JAK1KDM4E
SCHEMBL4710562 0.85 TACR1 (0.54) GPR119PDE4BJAK2JAK1KDM4E
SCHEMBL16108051 0.80 DPP4 (0.49) GPR119PDE4BKDM4ETACR1THRB
SCHEMBL14934715 0.80 DPP4 (0.49) GPR119PDE4BKDM4ETACR1THRB
SCHEMBL16141406 0.80 DPP4 (0.49) GPR119PDE4BKDM4ETACR1THRB

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