SCHEMBL9183603

SCHEMBL9183603

CCCC[C@H]1CN(C(=O)OC(C)(C)C)CC(=O)S1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ ATM Q13315 2/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ GPR119 Q8TDV5 4/20 0.34
▸ USP2 O75604 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ DDB1 Q16531 2/20 0.34
▸ CRBN Q96SW2 2/20 0.34
▸ ADORA1 P30542 1/20 0.34

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
SCHEMBL15297794 0.74 NR1H2 (0.54) NR1H2MAPTNAMPTGPR119USP2
SCHEMBL8105173 0.74 NR1H2 (0.39) NR1H2KDM4EMAPTTHRBNAMPT
SCHEMBL2732461 0.73 NR1H2 (0.40) NR1H2KDM4EMAPTTHRBNAMPT
SCHEMBL24501242 0.70 NR1H2 (0.53) NR1H2NAMPTGPR119USP2SMN1; SMN2
SCHEMBL8151168 0.70 GPR119 (0.55) KDM4EGPR119USP2SMN1; SMN2
SCHEMBL23207463 0.70 GPR119 (0.49) NR1H2KDM4EMAPTGPR119
SCHEMBL19073548 0.69 NR1H2 (0.37) NR1H2KDM4EMAPTNAMPTPDE4A
SCHEMBL22906686 0.69 NR1H2 (0.51) NR1H2NAMPTGPR119USP2SMN1; SMN2
SCHEMBL25845322 0.69 NR1H2 (0.44) NR1H2KDM4EMAPTTHRBNAMPT
SCHEMBL5112488 0.69 NR1H2 (0.38) NR1H2MAPTGPR119

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
EP-0666844-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1995-08-16 — — EP disclosed
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