SCHEMBL6950325

SCHEMBL6950325

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.49
SMARCA4 P51532 1/20 0.49
PBRM1 Q86U86 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP2C19 P33261 1/20 0.47
GAA P10253 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL6947145 0.81 GPR119 (0.55) SMARCA2SMARCA4PBRM1SMN1; SMN2MEN1
SCHEMBL23643942 0.81 GPR119 (0.54) SMN1; SMN2MEN1KMT2ACYP2C19LMNA
SCHEMBL6976827 0.76 L3MBTL1 (0.50) SMN1; SMN2MEN1KMT2ACYP2C19LMNA
SCHEMBL14987039 0.76 GLS (0.56) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL27796411 0.76 SMARCA2 (0.51) SMARCA2SMARCA4PBRM1SMN1; SMN2MEN1
SCHEMBL28794140 0.76 SMN1; SMN2 (0.50) SMARCA2SMARCA4PBRM1SMN1; SMN2MEN1
SCHEMBL31607953 0.75 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2ACYP2C19LMNA
SCHEMBL30613376 0.75 GAA (0.69) SMARCA2SMARCA4PBRM1SMN1; SMN2MEN1
SCHEMBL2382922 0.75 GAA (0.69) SMARCA2SMARCA4PBRM1SMN1; SMN2MEN1
SCHEMBL15996763 0.75 SMARCA2 (0.50) SMARCA2SMARCA4PBRM1SMN1; SMN2MEN1

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