SCHEMBL6947145

SCHEMBL6947145

CC(C)(C)OC(=O)N1CCN(c2ccc(C(N)=O)cc2O)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.55
SMARCA2 P51531 1/20 0.52
SMARCA4 P51532 1/20 0.52
PBRM1 Q86U86 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PARP14 Q460N5 1/20 0.50
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 4/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
CYP2C19 P33261 1/20 0.44
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44

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
SCHEMBL20339474 0.87 GPR119 (0.55) GPR119SMARCA2SMARCA4PBRM1MEN1
SCHEMBL354114 0.86 L3MBTL1 (0.58) GPR119MEN1KMT2APARP14ALDH1A1
SCHEMBL23073659 0.85 GPR119 (0.53) GPR119SMARCA2SMARCA4PBRM1MEN1
SCHEMBL6981354 0.82 GPR119 (0.53) GPR119SMARCA2SMARCA4PBRM1MEN1
SCHEMBL6950325 0.81 SMARCA2 (0.49) GPR119SMARCA2SMARCA4PBRM1MEN1
SCHEMBL13218466 0.81 GPR119 (0.79) GPR119MEN1KMT2AALDH1A1LMNA
SCHEMBL6495092 0.81 PARP14 (0.59) GPR119SMARCA2SMARCA4PBRM1MEN1
SCHEMBL30613376 0.78 GAA (0.69) GPR119SMARCA2SMARCA4PBRM1MEN1
SCHEMBL2382922 0.78 GAA (0.69) GPR119SMARCA2SMARCA4PBRM1MEN1
SCHEMBL25404908 0.78 ALDH1A1 (0.70) SMARCA2SMARCA4PBRM1MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0996446-B1 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2003-09-17 EP disclosed
US-6562832-B1 Cytokine suppressive anti-inflammatory drugs, capable of inhibiting the CSBP/p38/RK kinase SMITHKLINE BEECHAM CORPORATION 2003-05-13 US disclosed
US-6046208-A TREATMENT OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, ENDOTOXEMIA AND/OR TOXIC SHOCK SYNDROME, OTHER ACUTE OR CHRONIC INFLAMMATORY DISEASE STATES SUCH AS THE INFLAMMATORY REACTION INDUCED BY ENDOTOXIN OR INFLAMMATORY BOWEL DISEASE SMITHKLINE BEECHAM CORPORATION (US) 2000-04-04 US disclosed